2JJ3
Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-08 |
Detector | MARRESEARCH |
Spacegroup name | P 61 |
Unit cell lengths | 63.409, 63.409, 248.907 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.100 - 2.280 |
Rwork | 0.235 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.100 | 2.400 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.090 | 0.770 |
Number of reflections | 25114 | |
<I/σ(I)> | 9.9 | 2.2 |
Completeness [%] | 97.7 | 97.7 |
Redundancy | 5.7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 2M NACL, 9% PEG 6,000, 100MM TRIS PH 8.0 |