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 |
