5I5M
Shewanella denitrificans nitrous oxide reductase, Ca2+-reconstituted form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.756, 56.978, 163.524 |
| Unit cell angles | 90.00, 105.58, 90.00 |
Refinement procedure
| Resolution | 157.520 - 1.370 |
| R-factor | 0.16417 |
| Rwork | 0.163 |
| R-free | 0.18067 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i5i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.617 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 47.350 |
| High resolution limit [Å] | 1.370 |
| Number of reflections | 219234 |
| <I/σ(I)> | 13.4 |
| Completeness [%] | 99.3 |
| Redundancy | 6.2 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 25 % PEG 3350 0.2 M ammonium sulfate 0.1 M Bis-tris/HCl |
