8UPN
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADP+ and HMKB
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 | 0.2052 |
Rwork | 0.201 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.603 |
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] | 37.740 | 2.710 |
High resolution limit [Å] | 2.590 | 2.590 |
Number of reflections | 11700 | 5124 |
<I/σ(I)> | 16.7 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 18 | |
CC(1/2) | 0.940 | 0.765 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 291 | 0.1 M sodium HEPES pH 8.1 20% w/v PEG10000. |