2BL9
X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-12-02 |
| Detector | RIGAKU R-AXIS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.280, 55.740, 45.720 |
| Unit cell angles | 90.00, 107.09, 90.00 |
Refinement procedure
| Resolution | 30.470 - 1.900 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j3j |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.500 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.470 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.040 | 0.410 |
| Number of reflections | 24170 | |
| <I/σ(I)> | 14.8 | 3.3 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 3.21 | 3.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30%PEG4000, 100MM TRIS-HCL, PH 7.2, 10%GLYCEROL |
