3QP9
The Structure of a C2-type Ketoreductase from a Modular Polyketide Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.636, 150.088, 86.868 |
| Unit cell angles | 90.00, 105.12, 90.00 |
Refinement procedure
| Resolution | 31.230 - 1.880 |
| R-factor | 0.22924 |
| Rwork | 0.227 |
| R-free | 0.27623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mjs |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.064 | 0.688 |
| Number of reflections | 137509 | |
| <I/σ(I)> | 37 | 2.7 |
| Completeness [%] | 91.0 | 86.8 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 298 | 33% PEG4000, 0.25 M sodium acetate, 0.1 M Tris-Cl, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
