3ZIY
Structure of three-domain heme-Cu nitrite reductase from Ralstonia pickettii at 1.01 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.177, 128.177, 86.314 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.760 - 1.010 |
| R-factor | 0.10962 |
| Rwork | 0.109 |
| R-free | 0.12182 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z00 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.855 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.050 |
| High resolution limit [Å] | 1.010 | 1.010 |
| Rmerge | 0.080 | 0.620 |
| Number of reflections | 277728 | |
| <I/σ(I)> | 18 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PEG, SODIUM CITRITE, pH 6.5 |
