1RH3
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1991-08-08 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 62.526, 62.526, 105.774 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1rh2 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 3.100 |
| Data reduction software | UCSD |
| Data scaling software | UCSD |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.600 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.057 * | 0.218 * |
| Total number of observations | 36699 * | |
| Number of reflections | 9577 | |
| <I/σ(I)> | 17.8 | 2.5 |
| Completeness [%] | 94.0 | 87 |
| Redundancy | 3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | macro seeding * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | imidazole | 6.7 (mM) | |
| 2 | 1 | drop | PEG6000 | 9.7 (%(w/v)) | |
| 3 | 1 | drop | 4.0 (mM) | ||
| 4 | 1 | reservoir | PEG6000 | 20 (%) | |
| 5 | 1 | reservoir | 40 (mM) |
