3B70
Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) 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 | 2007-05-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.379, 44.578, 92.927 |
| Unit cell angles | 90.00, 102.13, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.890 |
| Rwork | 0.184 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b6z |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.620 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.890 | 1.900 |
| Number of reflections | 26335 | |
| <I/σ(I)> | 19.5 | 2.9 |
| Completeness [%] | 96.8 | 79.7 |
| Redundancy | 3.6 | 3.1 |
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 |
