7XG6
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with covalently bound 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 | 2021-01-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.764, 136.299, 116.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.160 - 1.320 |
R-factor | 0.1541 |
Rwork | 0.154 |
R-free | 0.16330 |
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] | 39.160 | 39.160 | 1.400 |
High resolution limit [Å] | 1.320 | 3.950 | 1.320 |
Rmerge | 0.068 | 0.030 | 0.635 |
Rmeas | 0.073 | 0.032 | 0.682 |
Total number of observations | 1457835 | ||
Number of reflections | 195760 | 7677 | 31190 |
<I/σ(I)> | 17.34 | 63.58 | 2.86 |
Completeness [%] | 99.7 | 99.7 | 98.9 |
Redundancy | 7.447 | 7.881 | 7.523 |
CC(1/2) | 0.999 | 0.999 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | pH 7.5 |