5N8H
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3.
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 | 96.204, 96.204, 96.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.000 - 1.650 |
R-factor | 0.14558 |
Rwork | 0.144 |
R-free | 0.16976 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bw4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.578 |
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] | 29.010 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.103 | |
Rpim | 0.061 | 0.573 |
Number of reflections | 35669 | 1910 |
<I/σ(I)> | 9.2 | 1.4 |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 4.5 | 4.3 |
CC(1/2) | 0.996 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1 M sodium citrate at pH 5.0 and 1.6 M ammonium sulphate |