4QM1
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
Replaces: 4MXSExperimental 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 | 2012-06-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.130, 101.331, 87.267 |
| Unit cell angles | 90.00, 109.57, 90.00 |
Refinement procedure
| Resolution | 40.946 - 2.796 |
| R-factor | 0.1949 |
| Rwork | 0.192 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tsd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.242 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.796 | 2.796 |
| Number of reflections | 33129 | |
| <I/σ(I)> | 7.4 | 1.6 |
| Completeness [%] | 98.4 | 93.5 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.02 M magnessium chloride hexahydrate 0.1 M HEPES pH 7.5, 22% w/v Polyacrylic acid, sodium salt 5100, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
