4MY9
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
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 | 2012-04-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 |
| Unit cell lengths | 84.930, 89.883, 104.621 |
| Unit cell angles | 98.70, 90.32, 96.46 |
Refinement procedure
| Resolution | 38.748 - 2.589 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID ENTRY 3STD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.740 |
| 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 | 2.640 |
| High resolution limit [Å] | 2.589 | 2.589 |
| Number of reflections | 91462 | |
| <I/σ(I)> | 11.1 | 2.2 |
| Completeness [%] | 98.1 | 97.1 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 5 % w/v Tacsimate, 0.1 M HEPES, pH 7.0, 10% w/v PEGMME 5000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
