6GAQ
Crystal structure of oxidised Flavodoxin 2 from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-02-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.010, 125.451, 59.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.725 - 2.500 |
R-factor | 0.238 |
Rwork | 0.235 |
R-free | 0.29320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fsg |
RMSD bond length | 0.002 |
RMSD bond angle | 0.543 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.730 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.175 | 0.995 |
Rmeas | 0.200 | 1.133 |
Number of reflections | 13361 | 6460 |
<I/σ(I)> | 6.4 | 1.6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.1 | 4.3 |
CC(1/2) | 0.992 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M calcium acetate, 40% (v/v) PEG300 and 0.1M sodium cacodylate pH 6.5 |