1VIF
STRUCTURE OF DIHYDROFOLATE REDUCTASE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 1992-03-15 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 68.750, 68.750, 52.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.176 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | 1vie |
| RMSD bond length | 0.014 |
| RMSD bond angle | 18.500 * |
| Data reduction software | UCSD |
| Data scaling software | UCSD |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.055 * | |
| Number of reflections | 6094 | |
| <I/σ(I)> | 12 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | CRYSTALS WERE GROWN FROM HANGING- DROPS CONTAINING PROTEIN AT A FINAL CONCENTRATION OF ABOUT 18 MG/ML, 30 MM FOLATE, 40 MM BICINE BUFFER AT PH 8.0 AND 18% 2-METHYL-2,4-PENTANE DIOL (MPD). DROPS WERE EQUILIBRATED AGAINST A RESERVOIR CONTAINING 100 MM KH2PO4 BUFFER AT PH 6.8 AND 50% MPD. THE CRYSTALS WERE FURTHER SOAKED IN 100 MM FOLATE FOR 3 DAYS., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | drop | bicine | 40 (mM) | |
| 3 | 1 | drop | MPD | 18 (%) | |
| 4 | 1 | reservoir | potassium phosphate | 100 (mM) | |
| 5 | 1 | reservoir | MPD | 50 (%) | |
| 6 | 1 | drop | folate | 30 (mM) |
