8Q8B
Crystal structure of Apis mellifera glutathione transferase delta 1, mutant C127S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM07 |
Synchrotron site | ESRF |
Beamline | BM07 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97951 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.398, 77.398, 82.137 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.280 - 1.500 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.843 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.540 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.065 | 1.572 |
Rmeas | 0.068 | 1.632 |
Rpim | 0.019 | 0.435 |
Number of reflections | 40123 | 1923 |
<I/σ(I)> | 21.4 | 2.1 |
Completeness [%] | 99.1 | |
Redundancy | 13.2 | |
CC(1/2) | 0.997 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% PEG4000, 0.1M sodium acetate, 0.2M ammonium sulfate |