5N8G
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2.
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 | 96.148, 96.148, 96.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.990 - 1.470 |
R-factor | 0.14649 |
Rwork | 0.146 |
R-free | 0.16464 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bw4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.662 |
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] | 28.990 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.107 | |
Rpim | 0.065 | |
Number of reflections | 50265 | 2473 |
<I/σ(I)> | 7.7 | 1.5 |
Completeness [%] | 99.5 | 98.9 |
Redundancy | 4.4 | 3.4 |
CC(1/2) | 0.990 | 0.513 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 0.1 M sodium citrate at pH 5.0 and 1.6 M ammonium sulphate |