4CF6
Crystal structure of the complex of the P187S variant of human NAD(P) H:quinone oxidoreductase with Cibacron blue at 2.7 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 104.167, 104.563, 118.566 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.217 - 2.694 |
| R-factor | 0.1894 |
| Rwork | 0.185 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cet |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.719 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.740 | 2.840 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.160 | 0.810 |
| Number of reflections | 18149 | |
| <I/σ(I)> | 9.3 | 2.4 |
| Completeness [%] | 99.5 | 97 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PROTEIN WAS CRYSTALLIZED FROM 60% TACSIMATE PH=7.0 |
