3UUD
Crystal structure of hERa-LBD (Y537S) in complex with estradiol
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 | 2011-06-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.230, 82.010, 58.930 |
| Unit cell angles | 90.00, 111.06, 90.00 |
Refinement procedure
| Resolution | 45.675 - 1.600 |
| R-factor | 0.1672 |
| Rwork | 0.166 |
| R-free | 0.19480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l03 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.021 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.700 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 65563 | |
| <I/σ(I)> | 18.19 | 2.53 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 200 mM Li2SO4, 100 mM Tris pH 8.5, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
