3B6N
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 79.661, 79.661, 79.661 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.840 - 2.260 |
| R-factor | 0.20664 |
| Rwork | 0.204 |
| R-free | 0.25746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vh8 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.835 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.105 | 0.896 |
| Number of reflections | 8156 | |
| <I/σ(I)> | 8.9 | 1.57 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 18.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 25% PEG 3350, 0.1 M Citric acid pH 3.5, 2 mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
