3LEE
Crystal structure of the human squalene synthase complexed with BPH-652
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2008-06-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.662, 153.422, 92.904 |
| Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
| Resolution | 29.580 - 3.200 |
| R-factor | 0.19568 |
| Rwork | 0.191 |
| R-free | 0.27638 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.686 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.162 | 0.521 |
| Number of reflections | 39260 | |
| <I/σ(I)> | 16.6 | 3.87 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 7.3 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 20% PEG 6,000, 0.2M sodium tartrate dibasic, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
