4HQL
Crystal structure of magnesium-loaded Plasmodium vivax TRAP protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.601, 97.963, 159.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.720 - 2.241 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.720 | 2.280 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Number of reflections | 45447 | |
| <I/σ(I)> | 13.73 | 4.36 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 277 | 0.1 M Tris, pH 8.5, 15% PEG20000, EVAPORATION, temperature 277K |
