5N8F
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 1.
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 | 96.130, 96.130, 96.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.980 - 1.380 |
| R-factor | 0.11851 |
| Rwork | 0.117 |
| R-free | 0.15582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.741 |
| 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] | 28.980 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.109 | |
| Rpim | 0.067 | 0.529 |
| Number of reflections | 59054 | 3552 |
| <I/σ(I)> | 7 | 1.1 |
| Completeness [%] | 97.1 | 69.2 |
| Redundancy | 4.1 | 1.7 |
| CC(1/2) | 0.990 |
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 |
