5URS
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P178
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 | 2014-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.345, 89.581, 104.158 |
| Unit cell angles | 98.71, 89.82, 96.69 |
Refinement procedure
| Resolution | 42.858 - 2.388 |
| R-factor | 0.2264 |
| Rwork | 0.224 |
| R-free | 0.27880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mjm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.148 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 117410 | 4523 |
| <I/σ(I)> | 10.5 | 1.5 |
| Completeness [%] | 97.8 | 74.8 |
| Redundancy | 2 | 1.6 |
| CC(1/2) | 0.620 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 10 % (w/v) PEG8000, 0.1 M sodium/potassium phosphate pH 6.2, 0.2 M sodium chloride |
