8VDB
Crystal structure of Bacillus subtilis FabHB, beta-ketoacyl carrier protein synthase III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 91.964, 92.718, 93.998 |
Unit cell angles | 111.66, 110.13, 105.45 |
Refinement procedure
Resolution | 45.200 - 2.400 |
R-factor | 0.2062 |
Rwork | 0.206 |
R-free | 0.22960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.789 |
Data reduction software | DIALS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.140 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.156 | 0.874 |
Rmeas | 0.182 | |
Number of reflections | 88179 | 4618 |
<I/σ(I)> | 4.5 | 1.8 |
Completeness [%] | 93.2 | 94.1 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.983 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 20% MPD, 0.1 M HEPES, pH 6.5 |