3HL9
Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.721, 79.744, 104.115 |
| Unit cell angles | 94.11, 91.56, 106.79 |
Refinement procedure
| Resolution | 76.030 - 3.400 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ic9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.257 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.030 | 3.660 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.235 | 0.527 |
| Number of reflections | 23701 | |
| <I/σ(I)> | 4.974 | 2.9 |
| Completeness [%] | 99.3 | 98.9 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 20% PEG 3350, 0.1M HEPES pH 7.0, 0.25 M ammonium sulfate, 10 mM dithiothreitol, vapor diffusion, hanging drop, temperature 298K |
