7E52
Acinetobacter baumannii Thioredoxin reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 125 |
Detector technology | PIXEL |
Collection date | 2020-07-31 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9796 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.100, 60.110, 73.750 |
Unit cell angles | 90.00, 125.44, 90.00 |
Refinement procedure
Resolution | 26.894 - 1.900 |
Rwork | 0.214 |
R-free | 0.25250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1trb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.737 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.895 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.137 | 1.660 |
Number of reflections | 25409 | 26880 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 99.9 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 14% PEG 1000, 0.1M Tris-HCl (pH 6.4), 50mM CaCl2 |