5OF6
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 190 |
Detector technology | PIXEL |
Collection date | 2015-12-04 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.99 |
Spacegroup name | P 21 3 |
Unit cell lengths | 94.938, 94.938, 94.938 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.460 - 1.080 |
R-factor | 0.11876 |
Rwork | 0.118 |
R-free | 0.14359 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i6k |
RMSD bond length | 0.015 |
RMSD bond angle | 1.839 |
Data reduction software | XDS (VERSION Oct 15, 2015) |
Data scaling software | Aimless (0.5.18) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.460 | 1.100 |
High resolution limit [Å] | 1.080 | 1.080 |
Rpim | 0.029 | 0.729 |
Number of reflections | 119272 | |
<I/σ(I)> | 13.5 | 1 |
Completeness [%] | 99.4 | 93.7 |
Redundancy | 5.9 | 3.2 |
CC(1/2) | 0.990 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 100 mM sodium citrate at pH 5.0 and ~1.7 M ammonium sulphate |