3PSV
Structure of E97D 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 | 2010-01-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 51.061, 53.767, 174.698 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.670 - 2.000 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.22888 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.989 |
| 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] | 2.000 | 2.000 |
| Rmerge | 0.121 | 0.430 |
| Number of reflections | 31196 | |
| <I/σ(I)> | 28.28 | 5.842 |
| Completeness [%] | 95.4 | 95.3 |
| Redundancy | 9 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 16% PEG, HEPES buffer, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
