6ROB
Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.297, 41.486, 72.238 |
Unit cell angles | 90.00, 104.53, 90.00 |
Refinement procedure
Resolution | 40.943 - 0.929 |
R-factor | 0.1127 |
Rwork | 0.112 |
R-free | 0.12030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.968 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.486 | 0.990 |
High resolution limit [Å] | 0.929 | 0.930 |
Number of reflections | 155258 | 22819 |
<I/σ(I)> | 17.02 | 5.06 |
Completeness [%] | 95.4 | 86.9 |
Redundancy | 3.48 | 2.91 |
CC(1/2) | 0.999 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid |