1XR3
Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 75 |
| Detector technology | CCD |
| Collection date | 2004-09-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 104.224, 104.224, 124.227 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.060 - 2.710 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x7g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.760 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Number of reflections | 21721 | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 94.6 | |
| Redundancy | 16.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
