6OUJ
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-03-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9775 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.255, 41.178, 71.772 |
Unit cell angles | 90.00, 104.15, 90.00 |
Refinement procedure
Resolution | 25.294 - 1.466 |
R-factor | 0.1576 |
Rwork | 0.156 |
R-free | 0.18080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.294 | 1.518 |
High resolution limit [Å] | 1.466 | 1.466 |
Number of reflections | 39660 | 3819 |
<I/σ(I)> | 16.97 | |
Completeness [%] | 96.0 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M sodium citrate, 50mM Tris HCl, pH 7.8 |