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 |
