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Using synchrotron radiation and a CCD detector, X-ray data have been collected at 100 K for the His64Ala mutant of human carbonic anhydrase II complexed with 4-methylimidazole (4-MI) to a maximal 1.05 A resolution, allowing full anisotropic least-squares refinement. The refined model has a conventional R factor of 15.7% for all reflections. The C(alpha) coordinates of the model presented here have an r.m.s. deviation of 0.10 A relative to the previously determined structure at 1.6 A resolution. Several amino-acid residues (six of the 255 observed) have been identified with multiple rotamer side-chain conformations. C, N and O atoms can be differentiated with selective electron-density map contouring. The estimated standard deviations for all main-chain non-H atom bond lengths and angles are 0.013 and 0.030 A, respectively, based on unrestrained full-matrix least-squares refinement. This structure gives detailed information about the tetrahedrally arranged zinc ion coordinated by three histidine N atoms (His94 N(epsilon 2), His96 N(epsilon2) and His119 N(delta1)) and a water/hydroxide, the multiple binding sites of the proton chemical rescue molecule 4-MI and the solvent networks linking the zinc-bound water/hydroxide and 4-MI molecules. This structure presents the highest resolution structure of a carbonic anhydrase isozyme so far determined and adds to the understanding of proton-transfer processes.


My atomic number is 11, my mass is22 0 u, my symbol isNa, and the number of protons andelectrons in my atom is 11. There are 12neutrons in my atom.Salt is a common example. Facts aboutme include: sodium chloride is my mostfrequent compound. It's used in food toseason it and keep it fresh. One exampleis sodium chloride, which is used forpickling and making delicious jerky. Asafe daily dose for humans is around 1.grams.


A mole is defined as the quantity of a substance containing the same number of particles as that in a 12.00g eq^2C/eq. Hence, we declare 1 mole of carbon instead of saying eq6.02\times 10^23 atoms/eq of carbon. Using this mole concept, we can express the amount of an element or compound as mass in grams, number of moles and number of particles.


The element mercury has a chemical symbol Hg, has an atomic number of 80, and a molar mass of 200.59 grams/mole. In determining the mass in grams of mercury from the given number of atoms, we need to use Avogadro's number (converts the number of atoms to the number of moles) and the molar mass (converts the number of moles to mass in grams).


Illustration of the life cycle of an ozone molecule. In step 1,the oxygen molecule is photolyzed by extreme UV creating two oxygenatoms. In step 2, ozone is photolyzed by UV into and oxygen atom andan oxygen molecule, with a subsequent reaction of this oxygen atomwith another oxygen molecule to reform ozone. In step 3, ozone canreact with a chlorine atom (among others) to form ClO andO2. The ClO can subsequently react with anoxygen atom to form another oxygen molecule and a Cl atom. This"catalytic reaction" of step 3 results in the conversion of anO3 and an O atom into two oxygen molecules(O2) without affecting the original Clatom.


The plugin itself only computes the carbon atom positions according to the provided input, but then has the option to generate further topology information suitable for classical force field MD simulations, which can then be stored in files of a suitable format. This uses functionality provided by the TopoTools plugin, so if your topology is incorrect contact the author of that plugin for help. NOTE: since the construction of angle, dihedral, and improper definitions depends on the bonding topology, they will only be computed, when bond generation is enabled.


To simplify use of the generated structures in MD simulations, several properties are assigned to the genera

ATOM RPG 1.05 Crack Mac Osx ((TOP))

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