6QPT
Crystal structure of nitrite bound synthetic core domain of nitrite reductase from Ralstonia pickettii (residues 1-331)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 165.910, 167.553, 143.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.900 |
| R-factor | 0.18048 |
| Rwork | 0.178 |
| R-free | 0.22377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.373 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.210 | 1.250 |
| Rpim | 0.090 | 0.520 |
| Number of reflections | 159198 | 7889 |
| <I/σ(I)> | 5.3 | 0.9 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.75 | 6.57 |
| CC(1/2) | 0.990 | 0.485 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 284 | 0.2 MgCl2, 20% P6000 in MES buffer pH 6.0 |
