4ZN9
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-03-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.110, 83.250, 58.730 |
Unit cell angles | 90.00, 109.84, 90.00 |
Refinement procedure
Resolution | 46.031 - 2.215 |
R-factor | 0.2224 |
Rwork | 0.221 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.428 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.093 | 0.049 | 0.500 |
Total number of observations | 170857 | ||
Number of reflections | 30690 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 88.0 | 99.9 | 41.9 |
Redundancy | 5.6 | 6.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 294 | 15% PEG 3350, 0.05M MgCl2, 0.067M NaCl, 0.1M Tris |