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 |