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 |