5UQG
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p200
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.887, 137.963, 116.548 |
Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
Resolution | 35.905 - 2.030 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r7j |
RMSD bond length | 0.008 |
RMSD bond angle | 1.152 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Number of reflections | 194228 | 9561 |
<I/σ(I)> | 11.6 | 1.62 |
Completeness [%] | 99.6 | 98.9 |
Redundancy | 3.7 | 3.2 |
CC(1/2) | 0.558 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 5 % (w/v) 2-propanol, 0.1 M HEPES pH 7.5 |