6GAS
Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 2 (FNR2) from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-31 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 109.660, 109.660, 242.519 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.600 - 2.400 |
R-factor | 0.2101 |
Rwork | 0.207 |
R-free | 0.26210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.256 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.139 | 1.028 |
Rmeas | 0.145 | 1.076 |
Number of reflections | 66924 | 4445 |
<I/σ(I)> | 11.4 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 11.3 |
CC(1/2) | 0.998 | 0.749 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M sodium chloride, 0.02 M Tris pH 7.0, 7.7 % w/v PEG 4000 |