8SXD
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
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 | 130.720, 130.720, 130.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.740 - 2.590 |
| R-factor | 0.1966 |
| Rwork | 0.191 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7lat |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.218 |
| 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] | 46.220 | 2.710 |
| High resolution limit [Å] | 2.590 | 2.590 |
| Rmerge | 0.048 | 0.932 |
| Rmeas | 0.050 | 0.979 |
| Rpim | 0.016 | 0.298 |
| Number of reflections | 11706 | 1407 |
| <I/σ(I)> | 22.5 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 mM 2-acetolactate, 10 mM NADP+, 0.1 M sodium HEPES pH=8.1, 20% w/v PEG10000 |
