6OUM
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B
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 | 2018-04-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9775 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.953, 41.225, 71.976 |
| Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
| Resolution | 32.000 - 1.559 |
| R-factor | 0.2558 |
| Rwork | 0.253 |
| R-free | 0.30350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.224 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10pre_2097) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.615 |
| High resolution limit [Å] | 1.559 | 1.559 |
| Rmerge | 0.080 | 0.580 |
| Number of reflections | 33931 | 3331 |
| <I/σ(I)> | 10.49 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M sodium citrate, 50mM Tris HCl, pH 7.8 |
