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 |