5I5J
Shewanella denitrificans nitrous oxide reductase, reduced apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 57.101, 121.459, 172.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.290 - 2.550 |
| R-factor | 0.18962 |
| Rwork | 0.188 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i5i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.427 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 172.400 |
| High resolution limit [Å] | 2.550 |
| Number of reflections | 40073 |
| <I/σ(I)> | 10.8 |
| Completeness [%] | 100.0 |
| Redundancy | 12.5 |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 25% PEG 3350 0.2 M lithium sulphate 0.1 M Tris/HCl |
