5UUZ
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the 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 | 2014-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.008 |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.818, 89.887, 104.620 |
| Unit cell angles | 99.27, 89.94, 96.15 |
Refinement procedure
| Resolution | 40.754 - 2.496 |
| R-factor | 0.2243 |
| Rwork | 0.223 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mjm |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.806 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 100703 | 4916 |
| <I/σ(I)> | 10.2 | 1.1 |
| Completeness [%] | 98.3 | 97.7 |
| Redundancy | 2.1 | 2 |
| CC(1/2) | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M Magnesium formate, 15 % (w/v) PEG3350 |
