6GAR
Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.166, 164.330, 95.012 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.983 - 2.400 |
R-factor | 0.1884 |
Rwork | 0.186 |
R-free | 0.23490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.005 |
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] | 54.780 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.130 | 0.632 |
Rmeas | 0.148 | 0.748 |
Number of reflections | 35326 | 3361 |
<I/σ(I)> | 8.1 | 1.8 |
Completeness [%] | 98.5 | 90.6 |
Redundancy | 4.2 | 3.2 |
CC(1/2) | 0.993 | 0.629 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate, 20 mM sodium potassium tartrate, 20 mM sodium oxamate, 50 mM HEPES, 50 mM MOPS pH 7.5, 12.5%(v/v) MPD, 12.5%(w/v) PEG 1K, 12.5%(w/v) PEG 3350 |