6FT1
Crystal structure of oxidised Flavodoxin 1 from Bacillus cereus (1.4 A resolution)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.70024 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 38.840, 44.860, 81.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.291 - 1.400 |
R-factor | 0.1788 |
Rwork | 0.177 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wsb |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.291 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.067 | 0.432 |
Rmeas | 0.077 | 0.524 |
Rpim | 0.039 | 0.293 |
Number of reflections | 28302 | 1382 |
<I/σ(I)> | 15.6 | 1.4 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 3.7 | 3 |
CC(1/2) | 0.997 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 3.6 M ammonium sulfate and 0.1 M citric acid pH 4 (final pH 5) |