1DRE
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1991-05-02 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 63.000, 63.000, 105.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.216 * |
| Rwork | 0.216 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 7dfr |
| RMSD bond length | 0.018 |
| RMSD bond angle | 3.200 |
| Data reduction software | UCSD |
| Data scaling software | UCSD |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.600 |
| Rmerge | 0.055 * |
| Total number of observations | 29632 * |
| Number of reflections | 7357 |
| Completeness [%] | 93.0 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 6 | 4 * | pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | KHP | 50 (mM) | |
| 2 | 1 | drop | PEG6000 | 50 (%(w/v)) | 0.005ml |
| 3 | 1 | drop | 50 (mM) | 0.0015ml | |
| 4 | 1 | reservoir | PEG6000 | 12 (%) | |
| 5 | 1 | reservoir | ethanol | 3 (%) | |
| 6 | 1 | reservoir | KHP | 50 (mM) |
