5BRB
Crystal structure of Q64E 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 | 2013-09-07 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.020, 75.350, 74.130 |
| Unit cell angles | 90.00, 97.72, 90.00 |
Refinement procedure
| Resolution | 73.570 - 2.530 |
| R-factor | 0.232 |
| Rwork | 0.229 |
| R-free | 0.29270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.070 |
| 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] | 75.350 | 73.458 | 2.650 |
| High resolution limit [Å] | 2.526 | 7.950 | 2.510 |
| Rmerge | 0.092 | 0.441 | |
| Rmeas | 0.187 | ||
| Rpim | 0.101 | 0.061 | 0.298 |
| Total number of observations | 45770 | 1521 | 5215 |
| Number of reflections | 14204 | ||
| <I/σ(I)> | 5.6 | 9.4 | 2.3 |
| Completeness [%] | 97.2 | 99.2 | 81.4 |
| Redundancy | 3.2 | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 28% PEG 1450, 100mM HEPES, 10mM calcium chloride, 0.5mM DTT, 0.5mM sodium azide |
