4RV8
Co-Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum and the inhibitor p131
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 | 2012-11-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.188, 91.832, 92.021 |
| Unit cell angles | 90.00, 103.75, 90.00 |
Refinement procedure
| Resolution | 40.842 - 2.053 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ffs |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.864 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1745)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 89862 | |
| <I/σ(I)> | 12.66 | 2.02 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | 0.1 M Bicine pH 9.0, 20%(w/v) PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 16K, temperature 289K |
