2RH4
Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2005-03-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 104.000, 104.000, 123.400 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| Rwork | 0.179 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x7h |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.287 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.077 | 0.499 |
| Number of reflections | 33667 | |
| <I/σ(I)> | 33 | 5.9 |
| Completeness [%] | 96.7 | 100 |
| Redundancy | 11 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 3.8-4.8 M sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
