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 |