5KRC
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone
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 | 2013-04-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.830, 82.630, 58.870 |
Unit cell angles | 90.00, 110.53, 90.00 |
Refinement procedure
Resolution | 41.315 - 2.400 |
R-factor | 0.1882 |
Rwork | 0.184 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.958 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
Rmerge | 0.089 | 0.065 | 0.569 |
Total number of observations | 158690 | ||
Number of reflections | 23408 | ||
<I/σ(I)> | 5.9 | ||
Completeness [%] | 98.7 | 97.3 | 98.8 |
Redundancy | 6.8 | 6.7 | 6.5 |
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 |