7AAW
Thioredoxin Reductase from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.96862 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.980, 94.980, 214.622 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.720 - 2.250 |
R-factor | 0.1804 |
Rwork | 0.178 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gcm |
RMSD bond length | 0.007 |
RMSD bond angle | 0.941 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.720 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.068 | 0.964 |
Rmeas | 0.076 | 1.075 |
Rpim | 0.033 | 0.466 |
Number of reflections | 47043 | 4327 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.3 | 100 |
Redundancy | 5 | 5.2 |
CC(1/2) | 0.999 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 298 | 14% w/v PEG5000MME, 0,10 M magnesium acetate, 0,10 M sodium citrate pH 5.8 |