1XQC
X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-08-30 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8727 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.114, 156.569, 58.962 |
Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.050 |
R-factor | 0.2132 |
Rwork | 0.211 |
R-free | 0.25425 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uom |
RMSD bond length | 0.018 |
RMSD bond angle | 1.554 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 59332 | |
<I/σ(I)> | 22.3 | 1.8 |
Completeness [%] | 95.2 | 89.9 |
Redundancy | 6.8 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG-550ME, sodium chloride, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | PEG-550ME, sodium chloride, bicine, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |