6JC7
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 1 |
Unit cell lengths | 83.761, 83.653, 87.975 |
Unit cell angles | 106.48, 109.07, 95.12 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.2061 |
Rwork | 0.204 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dds |
RMSD bond length | 0.010 |
RMSD bond angle | 1.664 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.2) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.580 | 78.580 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.084 | 0.038 | 0.482 |
Rmeas | 0.099 | 0.045 | 0.569 |
Rpim | 0.052 | 0.023 | 0.299 |
Number of reflections | 99929 | 648 | 4846 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 92.9 | 99.5 | 92.6 |
Redundancy | 3.5 | 3.5 | 3.4 |
CC(1/2) | 0.996 | 0.996 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 0.2M Sodium acetate, 0.1M TRIS pH 8.5, 32%PEG 3350, 2% glycerol |