5HN7
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1158
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2010-12-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.783, 108.378, 140.041 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 36.810 - 2.150 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3MYS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.953 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.126 | 0.600 |
| Number of reflections | 170179 | |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 97.3 | 94.3 |
| Redundancy | 5.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100MM TRIS, 200MM LITHIUM SULFATE, 22% PEG 3,350, PH 8.5 |
