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 |
