4KWH
The crystal structure of angucycline C-6 ketoreductase LanV with bound NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-28 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.500, 92.500, 106.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 1.700 |
| R-factor | 0.149 |
| Rwork | 0.147 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3icc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.352 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.066 | 0.688 |
| Number of reflections | 56150 | |
| <I/σ(I)> | 27.19 | 4.05 |
| Completeness [%] | 99.7 | 98.6 |
| Redundancy | 14.1 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 294 | 0.1M Bis-Tris-Propane, 0.2M sodium acetate, 18% PEG3350 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294.0K |
