3WEI
Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 94.193, 106.306, 33.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.790 |
| R-factor | 0.15275 |
| Rwork | 0.150 |
| R-free | 0.20883 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vj8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.397 |
| 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 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.071 | 0.503 |
| Number of reflections | 32235 | |
| <I/σ(I)> | 30.4 | 4.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7 | 7.1 |
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, 1mM presqualene pyrophosphate, 3mM MnCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
