3MJS
Structure of A-type Ketoreductases from 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 | 2009-06-25 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.439, 63.710, 71.824 |
| Unit cell angles | 72.77, 67.09, 89.79 |
Refinement procedure
| Resolution | 62.680 - 1.400 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mjc |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.669 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.680 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.044 | 0.450 |
| Number of reflections | 176916 | |
| <I/σ(I)> | 24.3 | 2 |
| Completeness [%] | 94.8 | 91.7 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 2.5 M DL-malic acid, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
