3PVF
Structure of C126S mutant of Plasmodium falciparum triosephosphate isomerase complexed with PGA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-11-30 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.510, 63.100, 53.200 |
| Unit cell angles | 90.00, 117.23, 90.00 |
Refinement procedure
| Resolution | 26.250 - 1.730 |
| R-factor | 0.15416 |
| Rwork | 0.152 |
| R-free | 0.19416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lyx |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.910 | 1.777 |
| High resolution limit [Å] | 1.730 | 1.732 |
| Rmerge | 0.031 | 0.125 |
| Number of reflections | 25341 | |
| <I/σ(I)> | 17.37 | |
| Completeness [%] | 93.9 | 83.2 |
| Redundancy | 4.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG, HEPES buffer(pH 7.5), 10mM Lithium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
