7MTU
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221
Replaces: 5UUWExperimental 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 | 2014-05-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 83.270, 89.334, 104.334 |
| Unit cell angles | 98.89, 90.40, 96.01 |
Refinement procedure
| Resolution | 41.680 - 2.340 |
| R-factor | 0.2333 |
| Rwork | 0.231 |
| R-free | 0.27450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 4MJM |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.504 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.100 | 0.757 |
| Number of reflections | 118528 | 5009 |
| <I/σ(I)> | 6.95 | 0.9 |
| Completeness [%] | 95.6 | 80.9 |
| Redundancy | 2.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 10 % (W/V) PEG-3000, SODIUM/POTASSIUM PHOSPHATE PH 6.2 |
