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 |