3ZBM
Structure of M92A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.410, 128.410, 86.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.140 - 1.870 |
| R-factor | 0.14047 |
| Rwork | 0.139 |
| R-free | 0.16822 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4AWW |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.522 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.920 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.120 | 0.760 |
| Number of reflections | 43074 | |
| <I/σ(I)> | 7.1 | 1.8 |
| Completeness [%] | 98.9 | 88.8 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20MM MES PH 6.5 20% PEG3350, 0.2 SODIUM CITRATE, 200 MM NACL, PROTEIN CONCENTRATION 7.5 MG/ML |
