3TE7
Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Detector technology | CCD |
Collection date | 2010-11-05 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.910, 84.030, 106.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.893 - 1.700 |
R-factor | 0.1714 |
Rwork | 0.170 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fw1 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.148 |
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] | 38.900 | 5.060 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.086 | |
Number of reflections | 55905 | |
<I/σ(I)> | 16 | |
Completeness [%] | 99.0 | 95.4 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | VAPOR DIFFUSION, SITTING DROP |