6DEB
Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase in the Complex with Methotrexate from Campylobacter jejuni
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 | 2010-05-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.867, 59.086, 72.993 |
| Unit cell angles | 90.00, 100.08, 90.00 |
Refinement procedure
| Resolution | 38.137 - 1.700 |
| R-factor | 0.1624 |
| Rwork | 0.161 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6de8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.306 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.8.1_1161) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.052 | 0.263 |
| Number of reflections | 72243 | 2555 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 95.5 | 68.3 |
| Redundancy | 4.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M potassium chloride, 20 % w/v Polyehtlyene glycol 3350 |
