5G0A
The crystal structure of a S-selective transaminase from Bacillus megaterium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-11 |
Detector | MARRESEARCH MAR-225MM |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 119.140, 124.637, 126.827 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.420 - 1.700 |
R-factor | 0.1739 |
Rwork | 0.172 |
R-free | 0.20033 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gju |
RMSD bond length | 0.010 |
RMSD bond angle | 1.319 |
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] | 43.400 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.030 | 0.390 |
Number of reflections | 200029 | |
<I/σ(I)> | 27.4 | 3.6 |
Completeness [%] | 96.9 | 89 |
Redundancy | 4.2 | 4 |
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 |