4WJY
Esherichia coli nitrite reductase NrfA H264N
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 | 2011-04-18 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.240, 89.490, 274.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.750 - 2.150 |
| R-factor | 0.15658 |
| Rwork | 0.154 |
| R-free | 0.21342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdz |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.966 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.790 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.327 | |
| Number of reflections | 57951 | |
| <I/σ(I)> | 7.3 | 2.1 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Grown in 100 mM HEPES pH 7.5, 20 % PEG 10 K. |
