3QRW
Actinorhodin Polyketide Ketoreductase Mutant P94L bound to NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 104.583, 104.583, 123.588 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.499 - 2.792 |
| R-factor | 0.1641 |
| Rwork | 0.161 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.197 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.090 | 0.031 | 0.464 |
| Number of reflections | 19775 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 10.9 | 10 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging-drop vapor diffusion | 7.5 | 298 | 3.8-4.8 M sodium formate, pH 7.5, hanging-drop vapor diffusion, temperature 298K |
