3WEG
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.369, 106.721, 33.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.430 - 1.750 |
| R-factor | 0.15773 |
| Rwork | 0.155 |
| R-free | 0.20761 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vj8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.088 | 0.523 |
| Number of reflections | 34977 | |
| <I/σ(I)> | 27.5 | 3.3 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 5.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% PEG 4000, 10% 2-propanol, 0.1M HEPES, 3mM farnesyl thiopyrophosphate, 1mM MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
