2BLA
SP21 double mutant P. vivax Dihydrofolate reductase in complex with pyrimethamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 110 |
| Collection date | 2003-10-31 |
| Detector | RIGAKU R-AXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.270, 54.400, 46.090 |
| Unit cell angles | 90.00, 108.13, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.500 |
| R-factor | 0.1939 |
| Rwork | 0.194 |
| R-free | 0.28180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.300 |
| 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] | 32.140 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 11057 | |
| <I/σ(I)> | 10.1 | 3.8 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 4.85 | 4.88 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30%PEG4000, 100MM MES, PH 6.0, 10%GLYCEROL |
