4RIU
A Carbonic Anhydrase IX Mimic in Complex with a Saccharin-Based Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-06-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.996, 41.215, 71.834 |
Unit cell angles | 90.00, 103.83, 90.00 |
Refinement procedure
Resolution | 19.859 - 1.651 |
R-factor | 0.1527 |
Rwork | 0.151 |
R-free | 0.17610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.118 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.870 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 27169 | |
Completeness [%] | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M Sodium Citrate, 50mM Tris, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |