2BLB
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 | ENRAF-NONIUS FR591 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Detector | NONIUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.480, 55.570, 45.270 |
| Unit cell angles | 90.00, 106.76, 90.00 |
Refinement procedure
| Resolution | 5.000 - 3.000 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.30000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.100 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.890 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 7000 | |
| <I/σ(I)> | 17.1 | 2.5 |
| Completeness [%] | 98.4 | 88.5 |
| Redundancy | 3.4 | 3.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30%PEG4000, 100MM MES, PH 6.0, 10% GLYCEROL |
