8D1U
E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) with an acetylated cysteine and in complex with oxa(dethia)-Coenzyme A
Replaces: 6X7SExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2019-06-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 72.662, 72.662, 102.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.992 - 1.302 |
Rwork | 0.143 |
R-free | 0.16680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hnj |
RMSD bond length | 0.015 |
RMSD bond angle | 2.088 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.992 | 1.350 |
High resolution limit [Å] | 1.302 | 1.302 |
Rmerge | 0.068 | 0.544 |
Rpim | 0.019 | 0.162 |
Number of reflections | 68034 | 4684 |
<I/σ(I)> | 113.7 | 6.2 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 14.2 | 12 |
CC(1/2) | 0.998 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 75 mM Magnesium Chloride, 20% PEG 6000, 3% PEG 400 |