6FJA
Crystal structure of T2D three-domain heme-Cu nitrite reductase from Ralstonia pickettii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 |
| Unit cell lengths | 128.230, 128.230, 86.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.660 - 2.200 |
| R-factor | 0.13807 |
| Rwork | 0.136 |
| R-free | 0.17538 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ziy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.516 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.660 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.102 | 0.535 |
| Rpim | 0.067 | 0.430 |
| Number of reflections | 26499 | 1798 |
| <I/σ(I)> | 0.993 | 2.1 |
| Completeness [%] | 98.9 | 90.9 |
| Redundancy | 3.3 | 2.6 |
| CC(1/2) | 0.559 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | Bis-Tris propane, 01M citrate, 22% P3350 MME |
