6ZI2
OleP-oleandolide(DEO) in low salt crystallization conditions
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 | PIXEL |
| Collection date | 2016-07-29 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8723 |
| Spacegroup name | P 1 |
| Unit cell lengths | 112.066, 116.642, 125.170 |
| Unit cell angles | 104.43, 104.25, 113.91 |
Refinement procedure
| Resolution | 39.890 - 2.930 |
| R-factor | 0.24153 |
| Rwork | 0.239 |
| R-free | 0.29065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mnv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.820 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.920 | 3.050 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.165 | 0.924 |
| Number of reflections | 115590 | 18262 |
| <I/σ(I)> | 7.29 | |
| Completeness [%] | 98.2 | |
| Redundancy | 3.56 | |
| CC(1/2) | 0.990 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 294 | 0.2 M NaCl 0.1 M Tris HCl pH 7.4 25% PEG 3350 |
