4QI9
Crystal structure of dihydrofolate reductase from Yersinia pestis complexed with methotrexate
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 | 2012-12-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.196, 103.641, 34.288 |
| Unit cell angles | 90.00, 93.00, 90.00 |
Refinement procedure
| Resolution | 34.241 - 2.297 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q1h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.253 |
| 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] | 89.559 | 2.340 |
| High resolution limit [Å] | 2.297 | 2.297 |
| Number of reflections | 27632 | |
| <I/σ(I)> | 11.1 | 6.3 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 4.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.2 M calcium acetate, 0.1 M MES, pH 6.0, 20% PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
