4LCL
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
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 | 2011-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9641 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.800, 76.390, 113.760 |
| Unit cell angles | 90.00, 93.91, 90.00 |
Refinement procedure
| Resolution | 18.100 - 1.800 |
| R-factor | 0.1684 |
| Rwork | 0.167 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hlc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 18.100 | 18.100 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.045 | ||
| Number of reflections | 69030 | ||
| <I/σ(I)> | 21.01 | 57.27 | 3.17 |
| Completeness [%] | 99.5 | 95.6 | 99.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 18% PEG-4000, 50mM sodium citrate pH 5.6, 16% propanol, 1mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
