1XP9
HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18
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 | 58.640, 58.640, 275.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.800 |
R-factor | 0.187 |
R-free | 0.29900 |
Structure solution method | ISOMORPHOUS REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.023 |
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 | 0.083 | 0.688 |
Number of reflections | 26640 | |
<I/σ(I)> | 46.178 | 2.01 |
Completeness [%] | 97.1 | 85 |
Redundancy | 21.085 | 15.86 |
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 |