7XG5
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with PLP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 106.405, 137.818, 117.424 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.360 - 1.760 |
R-factor | 0.1603 |
Rwork | 0.160 |
R-free | 0.18140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ce5 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.360 | 29.360 | 1.870 |
High resolution limit [Å] | 1.760 | 5.270 | 1.760 |
Rmerge | 0.160 | 0.062 | 1.014 |
Rmeas | 0.167 | 0.064 | 1.058 |
Total number of observations | 1107124 | ||
Number of reflections | 83864 | 3387 | 12671 |
<I/σ(I)> | 13.87 | 39.65 | 2.47 |
Completeness [%] | 98.9 | 99.8 | 93.3 |
Redundancy | 13.201 | 13.569 | 12.058 |
CC(1/2) | 0.998 | 0.999 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | pH 7.5 |