6GDC
Human Carbonic Anhydrase II in complex with Benzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.320, 41.432, 72.163 |
Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
Resolution | 23.288 - 1.079 |
R-factor | 0.1157 |
Rwork | 0.115 |
R-free | 0.13010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.069 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.432 | 1.084 |
High resolution limit [Å] | 1.079 | 1.079 |
Number of reflections | 102486 | 15973 |
<I/σ(I)> | 15.86 | 5.09 |
Completeness [%] | 98.3 | 95.1 |
Redundancy | 3.6 | 3.53 |
CC(1/2) | 0.999 | 0.996 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 291 | Ammoniumsulfate 2.70 M, pH=7.8, saturated with para-Chloromercurybenzoic acid |