7A6D
tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with rac-trans-4,4-difluorocyclopentane-1,2-diol
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 | 2020-02-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 127.868, 127.868, 115.189 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.790 - 1.590 |
R-factor | 0.1496 |
Rwork | 0.148 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pud |
RMSD bond length | 0.008 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.790 | 1.680 |
High resolution limit [Å] | 1.590 | 1.590 |
Number of reflections | 74885 | 11815 |
<I/σ(I)> | 21.7 | 1.4 |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 17.5 | 17.9 |
CC(1/2) | 1.000 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 283.15 | 0.1 M TRIS, pH 8.5, 4% PEG 6000 |