5N8H
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 240 |
| Detector technology | PIXEL |
| Collection date | 2016-06-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97690 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 96.204, 96.204, 96.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.650 |
| R-factor | 0.14558 |
| Rwork | 0.144 |
| R-free | 0.16976 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.578 |
| Data reduction software | XDS (20161101) |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC (5.8.0155) |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.010 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.103 | |
| Rpim | 0.061 | 0.573 |
| Number of reflections | 35669 | 1910 |
| <I/σ(I)> | 9.2 | 1.4 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 4.5 | 4.3 |
| CC(1/2) | 0.996 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M sodium citrate at pH 5.0 and 1.6 M ammonium sulphate |
