3GQV
Lovastatin polyketide enoyl reductase (LovC) mutant K54S with bound NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9761 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.542, 44.495, 93.001 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 35.190 - 1.740 |
| R-factor | 0.17408 |
| Rwork | 0.172 |
| R-free | 0.21959 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b70 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.415 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 33414 | |
| <I/σ(I)> | 15.1 | 2.8 |
| Completeness [%] | 97.5 | 87.2 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 30% PEG 4000, 0.1 M sodium acetate, 0.2 M ammonium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
