5HN9
Crystal structure of Plasmodium vivax geranylgeranylpyrophosphate synthase complexed with BPH-1186
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) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.920, 108.294, 139.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.940 - 2.120 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3MYS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.882 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.094 | 0.581 |
| Number of reflections | 91912 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 7.5 | 5.4 |
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 |
