4MZ1
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12
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 | 2012-06-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 118.062, 118.062, 435.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.574 - 2.399 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mya |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1367)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.399 | 2.399 |
| Number of reflections | 58784 | |
| <I/σ(I)> | 7.3 | 2.4 |
| Completeness [%] | 96.7 | 91.3 |
| Redundancy | 9.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 289 | 0.2 M lithium sulfate, 0.1 M CAPS pH 10.5, 1.2 M NaH(2)PO4/0.8 M K(2)HPO4, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
