3HM1
Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-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 | 2009-02-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.267, 82.666, 58.989 |
Unit cell angles | 90.00, 109.18, 90.00 |
Refinement procedure
Resolution | 33.368 - 2.330 |
R-factor | 0.2337 |
Rwork | 0.231 |
R-free | 0.28890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 2G50 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.091 |
Data reduction software | XFIT |
Data scaling software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.072 | 0.204 |
Number of reflections | 18967 | |
<I/σ(I)> | 4.9 | |
Completeness [%] | 86.3 | 45.2 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 289 | 0.15 M potassium bromide 30 %w/v polyethylene glycol MME 2000 , pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 289K |