4MY8
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor Q21
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 | 2012-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 111.433, 56.226, 111.395 |
| Unit cell angles | 90.00, 89.83, 90.00 |
Refinement procedure
| Resolution | 49.879 - 2.292 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID ENTRY 3TSD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.155 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1161)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.292 | 2.292 |
| Number of reflections | 59534 | |
| <I/σ(I)> | 7.5 | 2.2 |
| Completeness [%] | 95.7 | 79.5 |
| Redundancy | 3.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 289 | 0.1 M di-sodium hydrogen phosphate pH 6.2, 10% w/v PEG3000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
