5H3L
Structure of methylglyoxal synthase crystallised as a contaminant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95372 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.500, 86.500, 132.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.165 - 2.100 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b93 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.872 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.160 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 2.179 | |
Number of reflections | 29980 | |
<I/σ(I)> | 8 | 1.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.4 | 14.6 |
CC(1/2) | 0.991 | 0.436 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 3.5M Sodium formate.HCl, pH 7.0 |