6QWG
Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 301 |
Detector technology | CCD |
Collection date | 2017-10-12 |
Detector | MPCCD |
Wavelength(s) | 1.23 |
Spacegroup name | P 21 3 |
Unit cell lengths | 97.600, 97.600, 97.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.648 - 1.900 |
R-factor | 0.1382 |
Rwork | 0.137 |
R-free | 0.17230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gb8 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.650 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 24729 | 2438 |
<I/σ(I)> | 0 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 3281 | |
CC(1/2) | 0.990 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.5 | 293 | 20 mg per ml AcNiR in 20 mM Tris HCl pH 7.5 mixed with 2.5 M ammonium sulfate, 0.1 M sodium citrate pH 4.5 in a ratio of 1 to 3 and mixed by vortexing for 60sec |