3MJE
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 | 61.654, 63.762, 71.744 |
| Unit cell angles | 72.99, 67.21, 89.79 |
Refinement procedure
| Resolution | 62.760 - 1.360 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mjc |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.725 |
| 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] | 62.760 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.048 | 0.264 |
| Number of reflections | 191224 | |
| <I/σ(I)> | 28.2 | 3.7 |
| Completeness [%] | 93.3 | 90.6 |
| Redundancy | 2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.75 | 293 | 3.1 M ammonium sulfate, 200 mM NaCl, 100 mM sodium cacodylate, pH 6.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
