5JN3
Carbonic Anhydrase IX-mimic IN Complex WITH U-F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.069, 41.443, 72.023 |
| Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
| Resolution | 19.914 - 1.600 |
| R-factor | 0.1707 |
| Rwork | 0.169 |
| R-free | 0.19610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.630 |
| High resolution limit [Å] | 1.596 | 4.330 | 1.596 |
| Rmerge | 0.060 | 0.039 | 0.500 |
| Number of reflections | 53075 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 99.7 | 99.9 | 95.7 |
| Redundancy | 7.1 | 7.1 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6 M Na-Citrate, 50 mM Tris, pH 7.8 |
