3HLV
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2009-02-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.826, 83.373, 58.481 |
Unit cell angles | 90.00, 108.29, 90.00 |
Refinement procedure
Resolution | 46.274 - 3.000 |
R-factor | 0.2194 |
Rwork | 0.217 |
R-free | 0.26870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g5o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.035 |
Data reduction software | XFIT |
Data scaling software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.556 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.139 | 0.515 |
Number of reflections | 11512 | |
<I/σ(I)> | 10.73 | 1.44 |
Completeness [%] | 99.4 | 91.4 |
Redundancy | 4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.05M magnesium chloride 0.1M HEPES 7.5 30%v/v polyethylene glycol MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 289K |