5G09
The crystal structure of a S-selective transaminase from Bacillus megaterium bound with R-alpha-methylbenzylamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-04 |
| Detector | MARRESEARCH MAR-225MM |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 119.317, 124.593, 126.972 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.460 - 1.900 |
| R-factor | 0.16749 |
| Rwork | 0.166 |
| R-free | 0.20319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gju |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.426 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 | 0.620 |
| Number of reflections | 149076 | |
| <I/σ(I)> | 11 | 2.5 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 30% PEG300 50 MM NA-PHOSPHATE/CITRATE, PH 4.2 10 MM PYRIDOXAL-5-PHOSPHATE |
