5KCD
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative
Replaces: 4ZUCExperimental 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 | 2011-07-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.945, 83.463, 58.779 |
Unit cell angles | 90.00, 109.38, 90.00 |
Refinement procedure
Resolution | 44.606 - 1.820 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 4.940 | 1.820 |
Rmerge | 0.040 | 0.025 | 0.299 |
Total number of observations | 174399 | ||
Number of reflections | 45634 | ||
<I/σ(I)> | 19 | ||
Completeness [%] | 99.8 | 96.1 | 100 |
Redundancy | 3.8 | 3.7 | 3.8 |
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 |