3RYW
Crystal structure of P. vivax geranylgeranyl diphosphate synthase complexed with BPH-811
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] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-05 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.744, 106.582, 139.031 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.220 - 2.900 |
| R-factor | 0.21033 |
| Rwork | 0.208 |
| R-free | 0.25957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cc9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.343 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.141 | 0.659 |
| Number of reflections | 36585 | |
| <I/σ(I)> | 1.05 | |
| Completeness [%] | 98.6 | 98.6 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 19% PEG 3350, 1mM BPH-811, 2mM MgCl2, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
