4OSO
The crystal structure of landomycin C-6 ketoreductase LanV with bound NADP and rabelomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 91.990, 91.990, 106.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.540 - 2.500 |
| R-factor | 0.1776 |
| Rwork | 0.174 |
| R-free | 0.23466 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kwh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 | |
| High resolution limit [Å] | 2.500 | 11.160 | 2.500 |
| Rmerge | 0.161 | 0.040 | 0.998 |
| Number of reflections | 16276 | ||
| <I/σ(I)> | 11.52 | 28.93 | 1.87 |
| Completeness [%] | 99.1 | 96.9 | 93 |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.1M Bis-Tris Propane, 0.2M sodium acetate, 18% PEG3350K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
