5MBS
Crystal structure of Bacillus subtilis EngA in space group P21
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 | 2015-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.920, 64.150, 62.010 |
Unit cell angles | 90.00, 96.39, 90.00 |
Refinement procedure
Resolution | 61.620 - 3.200 |
R-factor | 0.2277 |
Rwork | 0.220 |
R-free | 0.37252 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dcu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.337 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.620 | 3.280 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.744 | |
Number of reflections | 6572 | |
<I/σ(I)> | 9.69 | 1.67 |
Completeness [%] | 98.5 | 96.5 |
Redundancy | 3.27 | 3.21 |
CC(1/2) | 0.996 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.5 M sodium sulfate 0.1 M Tris pH 6.5 16% PEG 3350 |