6FYQ
The crystal structure of a new transaminase from the marine bacterium Virgibacillus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.966 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 100.886, 100.886, 97.411 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.860 - 2.000 |
R-factor | 0.1792 |
Rwork | 0.177 |
R-free | 0.21920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tib |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.393 |
Rmeas | 0.046 | 0.454 |
Rpim | 0.023 | 0.223 |
Number of reflections | 38942 | 5629 |
<I/σ(I)> | 17.3 | 3.2 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 3.8 | 3.9 |
CC(1/2) | 0.999 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Morpheus condition D10 (0.12 M Alcohols, 0.1 M Buffer System 3 pH 8.5, 50% (v/v) Precipitant Mix 2 (Molecular dimensions) |