8SWM
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-09-29 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 3 |
Unit cell lengths | 130.715, 130.715, 130.715 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.340 - 3.000 |
R-factor | 0.2277 |
Rwork | 0.225 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.849 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.210 | 3.180 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.068 | 0.472 |
Rmeas | 0.078 | 0.542 |
Rpim | 0.038 | 0.263 |
Number of reflections | 7593 | 3286 |
<I/σ(I)> | 16.9 | 3 |
Completeness [%] | 99.8 | 98.7 |
Redundancy | 7.8 | 7.9 |
CC(1/2) | 0.999 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M ammonium acetate, 0.1 M BIS-TRIS pH=5.5 and 17 % w/v PEG10000 |