3IA4
Moritella profunda dihydrofolate reductase (DHFR) in complex with NADPH and methotrexate (MTX)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-13 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.9696 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.870, 44.990, 97.370 |
| Unit cell angles | 90.00, 114.82, 90.00 |
Refinement procedure
| Resolution | 44.187 - 1.700 |
| R-factor | 0.1566 |
| Rwork | 0.154 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.993 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.079 | 0.395 |
| Number of reflections | 79111 | |
| <I/σ(I)> | 11.2 | 3.77 |
| Completeness [%] | 96.2 | 94 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.6M sodium citrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
