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 |
