6NRP
Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.479, 89.479, 239.469 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.987 - 1.900 |
| R-factor | 0.1713 |
| Rwork | 0.170 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iiu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.843 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.990 | 1.900 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.139 | 0.606 |
| Rmeas | 0.148 | 0.652 |
| Rpim | 0.050 | 0.236 |
| Number of reflections | 88460 | 4426 |
| <I/σ(I)> | 9.1 | 2.9 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 8.7 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 296.15 | 0.1M magnesium acetate, 0.1M sodium acetate pH 4.5, 8% PEG8000 |
