6FSI
Crystal structure of semiquinone Flavodoxin 1 from Bacillus cereus (1.32 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 | IMAGE PLATE |
Collection date | 2011-06-03 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.6983 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 38.906, 45.099, 82.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.459 - 1.320 |
R-factor | 0.1056 |
Rwork | 0.105 |
R-free | 0.12620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wsb |
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] | 35.150 | 1.340 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.046 | 0.090 |
Rmeas | 0.051 | 0.102 |
Rpim | 0.020 | 0.046 |
Number of reflections | 34618 | 1678 |
<I/σ(I)> | 23.2 | 13.6 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 5.2 | 4.8 |
CC(1/2) | 0.998 | 0.989 |
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) |