3PSW
Structure of E97Q mutant of TIM from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR-H |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-02-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 50.910, 53.751, 174.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.760 - 1.990 |
| R-factor | 0.20347 |
| Rwork | 0.201 |
| R-free | 0.25355 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.964 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Rmerge | 0.198 | 0.530 |
| Number of reflections | 30019 | |
| <I/σ(I)> | 15.23 | 2.88 |
| Completeness [%] | 90.2 | 93.8 |
| Redundancy | 7.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 24% PEG, HEPES buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
