3VJC
Crystal structure of the human squalene synthase in complex with zaragozic acid A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.873, 153.153, 91.855 |
| Unit cell angles | 90.00, 91.72, 90.00 |
Refinement procedure
| Resolution | 27.700 - 1.890 |
| R-factor | 0.15035 |
| Rwork | 0.148 |
| R-free | 0.19717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.060 | 0.472 |
| Number of reflections | 187887 | |
| <I/σ(I)> | 20.8 | 2.3 |
| Completeness [%] | 99.4 | 99.2 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 2% PEG 400, 2M K2HPO4/NaH2PO4, 0.5mM zaragozic acid A, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
