6GB8
Copper nitrite reductase from Achromobacter cycloclastes: small cell polymorph dataset 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-01-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 3 |
Unit cell lengths | 96.382, 96.382, 96.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.060 - 1.480 |
R-factor | 0.1873 |
Rwork | 0.186 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i6k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.641 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.060 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Number of reflections | 49882 | 2471 |
<I/σ(I)> | 1.75 | 0.17 |
Completeness [%] | 100.0 | 100 |
Redundancy | 548 | 206.5 |
CC(1/2) | 0.996 | 0.726 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.5 | 298 | Batch microcrystals were prepared by rapidly mixing 20 mg/ml AcNiR in 20mM Tris, pH 7.5 with a solution containing 2.5 M ammonium sulphate, 0.1 M sodium citrate pH 4.5 buffer, in a ratio of 1:3 and mixed by vortexing for 60 seconds. Microcrystals with a diameter of 5-15 microns grew at room temperature over a period of 4-6 days. |