4MGA
Crystal structure of hERa-LBD (Y537S) in complex with 4-tert-octylphenol
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 | 54.880, 81.590, 58.840 |
| Unit cell angles | 90.00, 110.78, 90.00 |
Refinement procedure
| Resolution | 46.683 - 1.800 |
| R-factor | 0.1984 |
| Rwork | 0.197 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uud |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.752 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.683 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 44628 | |
| <I/σ(I)> | 13.85 | 3.03 |
| Completeness [%] | 99.1 | 99 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | 320 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
