7NDO
ER-PRS*(-) (L536S, L372R) in complex with raloxifene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 |
Unit cell lengths | 48.581, 51.787, 57.513 |
Unit cell angles | 97.84, 113.52, 110.42 |
Refinement procedure
Resolution | 42.800 - 1.600 |
Rwork | 0.185 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qxs |
RMSD bond length | 0.003 |
RMSD bond angle | 0.518 |
Data reduction software | XDS |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.800 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.052 | 1.287 |
Rmeas | 0.061 | 1.499 |
Rpim | 0.031 | 0.766 |
Number of reflections | 56359 | 5535 |
<I/σ(I)> | 11.81 | |
Completeness [%] | 93.6 | 92.11 |
Redundancy | 3.7 | 3.6 |
CC(1/2) | 0.999 | 0.478 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 292 | 0.2 M sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v polyethylene glycol 3,350 |