2BMO
The Crystal Structure of Nitrobenzene Dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 |
| Unit cell lengths | 121.586, 121.586, 84.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.000 - 1.200 |
| R-factor | 0.156 |
| Rwork | 0.156 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o7w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.270 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.000 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.090 | 0.610 |
| Number of reflections | 207117 | |
| <I/σ(I)> | 4.1 | 1.4 |
| Completeness [%] | 95.0 | 91.8 |
| Redundancy | 6.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M MES PH 6.0, 6% PEG 8000 (W/V), 5MM NICL2 |
