4MG5
Crystal structure of hERa-LBD (Y537S) in complex with chlordecone
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.700, 81.780, 58.560 |
| Unit cell angles | 90.00, 110.28, 90.00 |
Refinement procedure
| Resolution | 46.360 - 2.050 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.22780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uud |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.831 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.360 | 2.170 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 30297 | 4761 |
| <I/σ(I)> | 10.62 | 2.48 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | 340 mM sodium chloride, 100 mM HEPES, 32% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
