1VDR
DIHYDROFOLATE REDUCTASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1990-01 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.870, 59.450, 78.150 |
| Unit cell angles | 90.00, 95.80, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.550 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SUPERPOSITION OF 7 MODELS: 4DFR 5dfr 6dfr 7dfr 8dfr 3dfr MODELED HV-DHFR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 3.200 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.710 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.073 | 0.271 |
| Number of reflections | 10496 | |
| <I/σ(I)> | 18.2 | 2.4 |
| Completeness [%] | 98.0 | 88 * |
| Redundancy | 2.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | HANGING DROP VAPOR DIFFUSION. THE RESERVOIR SOLUTION CONTAINED 2.4M PHOSPHATE BUFFER (PH 7.8-8.0), 0.25-0.5% PEG 1000 AND 2MM METHOTREXATE. THE DROPS CONTAINED EQUAL VOLUMES OF RESERVOIR SOLUTION AND 10 MG/ML PROTEIN SOLUTION IN 0.1M PHOSPHATE BUFFER AT PH7.0., pH 7.9, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | phosphate | 2.4 (M) | |
| 2 | 1 | reservoir | PEG1000 | 0.25-0.5 (%) | |
| 3 | 1 | reservoir | methotrexate | 2 (mM) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | phosphate | 0.1 (M) |
