2YQB
Structure of P93A variant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.4 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 127.849, 127.849, 86.628 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.070 - 1.410 |
| R-factor | 0.11342 |
| Rwork | 0.112 |
| R-free | 0.14693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4AWW |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.607 |
| 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] | 18.080 | 1.480 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 102529 | |
| <I/σ(I)> | 9.5 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20MM MES PH 6.5, 20% PEG3350, 0.2M SODIUM CITRATE, 200 MM NACL |
