2Z4W
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-749
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.521, 116.545, 129.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.450 |
| Rwork | 0.205 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dh4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.103 | 0.532 |
| Number of reflections | 26937 | |
| <I/σ(I)> | 14.8 | 2.9 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.08M CH3COONa, 16% PEG 4000, 6-10% glycerol, 6-10% 1,2-propanediol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
