8EH2
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] | 298 |
Detector technology | PIXEL |
Collection date | 2018-02-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 67.431, 109.460, 136.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.400 - 2.400 |
R-factor | 0.1919 |
Rwork | 0.190 |
R-free | 0.22570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d1y |
RMSD bond length | 0.002 |
RMSD bond angle | 0.493 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.400 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 20194 | 2085 |
<I/σ(I)> | 6.9 | |
Completeness [%] | 99.9 | |
Redundancy | 4.7 | |
CC(1/2) | 0.986 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M lithium chloride, 0.1M Tris pH 8.0, 20% (v/v) polyethylene glycol 8,000 |