4MG9
Crystal structure of hERa-LBD (Y537S) in complex with butylparaben
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.07231 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.920, 81.550, 58.260 |
| Unit cell angles | 90.00, 110.06, 90.00 |
Refinement procedure
| Resolution | 31.990 - 2.000 |
| R-factor | 0.1833 |
| Rwork | 0.180 |
| R-free | 0.23690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.973 |
| 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] | 31.990 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32321 | |
| <I/σ(I)> | 16.52 | 3.65 |
| Completeness [%] | 98.7 | 98.2 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 291 | 300 mM sodium chloride, 100 mM HEPES, 28% PEG3350, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
