5UQF
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with IMP and the inhibitor P225
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 | 2015-02-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 118.526, 118.526, 451.298 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.550 - 2.730 |
R-factor | 0.1772 |
Rwork | 0.175 |
R-free | 0.22750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r7j |
RMSD bond length | 0.008 |
RMSD bond angle | 1.079 |
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 | 2.780 |
High resolution limit [Å] | 2.730 | 2.730 |
Number of reflections | 43356 | 2145 |
<I/σ(I)> | 10.7 | 2.48 |
Completeness [%] | 99.3 | 99.2 |
Redundancy | 4.3 | 4.2 |
CC(1/2) | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 289 | 1.2 M sodium dihydrogen phosphate, 0.8 M potassium hydrogen phosphate, 0.1 M CAPS pH 10.5, 0.2 M lithium sulfate |