4OSP
The crystal structure of urdamycin C-6 ketoreductase domain UrdMred 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 | 2012-05-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.440, 110.330, 78.070 |
| Unit cell angles | 90.00, 110.35, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.19683 |
| Rwork | 0.194 |
| R-free | 0.24623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kwh |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| 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 | 2.300 | |
| High resolution limit [Å] | 2.250 | 10.040 | 2.250 |
| Rmerge | 0.124 | 0.019 | 0.903 |
| Number of reflections | 47995 | ||
| <I/σ(I)> | 13.16 | 59.32 | 1.78 |
| Completeness [%] | 99.6 | 97.4 | 96.9 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 0.1M BisTris, 0.2M ammonium acetate, 17% PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
