3WEH
Crystal structure of the human squalene synthase in complex with presqualene pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.235, 93.876, 108.803 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.730 - 1.870 |
| R-factor | 0.16776 |
| Rwork | 0.165 |
| R-free | 0.21947 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vj8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.416 |
| 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 | 1.940 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.057 | 0.517 |
| Number of reflections | 31534 | |
| <I/σ(I)> | 30.5 | 4.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 20% PEG 2000 MME, 0.01M NiCl2, 0.1M Tris, 1mM presqualene pyrophosphate, 1mM MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
