1XP1
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-15 |
Detector | ADSC |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.620, 58.620, 276.790 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.181 |
R-free | 0.26900 |
Structure solution method | ISOMORPHOUS REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.022 |
Data reduction software | X-GEN |
Data scaling software | X-GEN |
Refinement software | SHELXL (97-1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.900 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.093 | 0.604 |
Number of reflections | 27355 | |
<I/σ(I)> | 37.158 | 2.052 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 20.594 | 13.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 2-10% PEG 3350, 0.02-0.20M MGCL2, IMIDAZOLE, VAPOR DIFFUSION, HANGING DROP, pH 7.10 |