5HN8
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1182
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] | 298 |
| Detector technology | CCD |
| Collection date | 2010-10-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.072, 117.220, 92.786 |
| Unit cell angles | 90.00, 116.20, 90.00 |
Refinement procedure
| Resolution | 31.100 - 2.700 |
| R-factor | 0.261 |
| Rwork | 0.259 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ldw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.407 |
| 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 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.126 | 0.561 |
| Number of reflections | 43920 | |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.5 | 97.5 |
| Redundancy | 5.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 200MM LISO4, 20% PEG3350, 100MM TRIS, PH 8.5, HANGING DROP, TEMPERATURE 291K |
