2BLC
SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU R-AXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.000, 56.310, 45.670 |
| Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
| Resolution | 35.450 - 2.250 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 35.450 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.040 | 0.300 |
| Number of reflections | 14932 | |
| <I/σ(I)> | 11.8 | 2 |
| Completeness [%] | 97.5 | 97.5 |
| Redundancy | 3.72 | 3.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30%PEG4000, 100MM MES, PH 6.0, 10%GLYCEROL |
