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 |