5WLR
Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide
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 | 2017-06-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.381, 41.734, 72.503 |
| Unit cell angles | 90.00, 103.90, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.490 |
| R-factor | 0.1529 |
| Rwork | 0.152 |
| R-free | 0.17230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.970 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 35.200 |
| High resolution limit [Å] | 1.490 |
| Rpim | 0.026 |
| Number of reflections | 60130 |
| <I/σ(I)> | 26.7 |
| Completeness [%] | 99.6 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6M sodium citrate 50mM Tris-HCl |
