4FL7
The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-01 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.160, 41.500, 71.990 |
Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
Rwork | 0.163 |
R-free | 0.20320 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ca2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.482 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 19721 | |
<I/σ(I)> | 19.7 | 12.05 |
Completeness [%] | 94.7 | 78.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | 2.4 M ammonium sulfate, 0.3 M sodium chloride, 0.1 M Tris-HCl, pH 8.6, 5 mM 4-(hydroxymercurybenzoate), VAPOR DIFFUSION, HANGING DROP, temperature 293K |