6UUT
Crystal structure of a high molecular weight 3-oxoacyl-ACP reductase (FabG) from Acinetobacter baumannii crystal form 2
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 | 2018-02-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.599, 80.320, 76.579 |
Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
Resolution | 80.320 - 1.650 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vp5 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.759 |
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] | 80.320 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.077 | 0.296 |
Rmeas | 0.093 | 0.354 |
Rpim | 0.050 | 0.191 |
Number of reflections | 92484 | 4543 |
<I/σ(I)> | 8.2 | 3.6 |
Completeness [%] | 99.8 | |
Redundancy | 3.2 | |
CC(1/2) | 0.995 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 0.2M sodium malonate pH4.0 + 20% PEG 3350 |