6QPU
Crystal structure of as isolated synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-07 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 165.884, 167.520, 143.982 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.680 - 2.250 |
| R-factor | 0.1817 |
| Rwork | 0.179 |
| R-free | 0.23698 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ziy |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.443 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.600 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.110 | 0.750 |
| Rpim | 0.076 | 0.530 |
| Number of reflections | 84912 | |
| <I/σ(I)> | 9.3 | 1.4 |
| Completeness [%] | 94.4 | 75.4 |
| Redundancy | 3.8 | 3.4 |
| CC(1/2) | 0.994 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 297 | containing 0.2 MgCl2, 20% P6000 in MES buffer pH 6.0 |
