4ZZ9
Crystal structure of T75S mutant of Triosephosphate isomerase from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-04-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.230, 76.540, 74.940 |
| Unit cell angles | 90.00, 98.27, 90.00 |
Refinement procedure
| Resolution | 74.160 - 1.810 |
| R-factor | 0.17823 |
| Rwork | 0.175 |
| R-free | 0.23686 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5x |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.760 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.161 | 38.270 | 1.900 |
| High resolution limit [Å] | 1.805 | 5.710 | 1.800 |
| Rmerge | 0.057 | 0.480 | |
| Rmeas | 0.114 | ||
| Rpim | 0.054 | 0.031 | 0.268 |
| Total number of observations | 174650 | 5661 | 23676 |
| Number of reflections | 40317 | ||
| <I/σ(I)> | 10.1 | 18.4 | 2.8 |
| Completeness [%] | 99.9 | 99.8 | 99.5 |
| Redundancy | 4.3 | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 22% PEG 1450, 100 mM HEPES buffer, 10 mM Calcium chloride, 0.5 mM EDTA, 0.5 mM DTT, 0.5 mM sodium azide |
