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 |
