3WEF
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-10-18 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.888, 153.752, 91.613 |
| Unit cell angles | 90.00, 91.06, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.350 |
| R-factor | 0.19364 |
| Rwork | 0.190 |
| R-free | 0.25697 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vjb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.417 |
| 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 | 2.450 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.079 | 0.655 |
| Number of reflections | 97910 | |
| <I/σ(I)> | 23 | 3.6 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 4.6 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2% PEG 400, 2M K2HPO4/NaH2PO4, 3mM farnesyl thiopyrophosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
