6F2C
Methylglyoxal synthase MgsA from Bacillus subtilis
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 | 2013-11-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.77318 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.930, 109.710, 199.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.993 - 2.340 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xw6 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.993 | 50.000 | 2.423 |
High resolution limit [Å] | 2.339 | 48.993 | 2.339 |
Rmerge | 0.054 | 0.658 | |
Rmeas | 0.061 | ||
Number of reflections | 101094 | 10027 | |
<I/σ(I)> | 18.23 | 2.41 | |
Completeness [%] | 99.4 | 99.72 | |
Redundancy | 4.728 | 4.788 | |
CC(1/2) | 0.999 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.1 M bicine/Trizma base pH 8.5, 10% w/v PEG 4000, 20% w/v glycerol 30 mM of (0.3 M magnesium chloride, 0.3 M calcium chloride) |