3TZB
Quinone Oxidoreductase (NQ02) bound to NSC13000
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-20 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.620, 62.101, 78.506 |
| Unit cell angles | 92.95, 90.10, 110.45 |
Refinement procedure
| Resolution | 28.200 - 2.190 |
| R-factor | 0.1706 |
| Rwork | 0.167 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.107 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.200 | 1.510 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 42485 | |
| <I/σ(I)> | 12.9 | 4.38 |
| Completeness [%] | 92.0 | 90.5 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | VAPOR DIFFUSION, SITTING DROP, temperature 277K |
