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 |