4QJ1
Co-crystal structure of the catalytic domain of the inosine monophosphate dehydrogenase from Cryptosporidium parvum with inhibitor N109
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 | 2014-03-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.412, 92.337, 91.914 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 39.587 - 2.415 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ffs |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.445 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 55500 | |
| <I/σ(I)> | 7.9 | 2.1 |
| Completeness [%] | 99.1 | 95.6 |
| Redundancy | 3.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 289 | 0.1 M HEPES, pH 7.0, 5% v/v Tacsimate, pH 7.0, 10% w/v PEG5000 MME, temperature 289K |
