6TJM
Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by Pyrrolidone1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.03320 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 62.841, 152.310, 76.792 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.155 - 1.850 |
R-factor | 0.198 |
Rwork | 0.197 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (3500) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.780 | 76.780 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.043 | 0.023 | 1.259 |
Rmeas | 0.045 | 0.024 | 1.317 |
Rpim | 0.013 | 0.007 | 0.386 |
Total number of observations | 398455 | 4860 | 26753 |
Number of reflections | 31900 | 409 | 2329 |
<I/σ(I)> | 24 | 89.5 | 1 |
Completeness [%] | 100.0 | 98.2 | 100 |
Redundancy | 12.5 | 11.9 | 11.5 |
CC(1/2) | 1.000 | 0.998 | 0.803 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.2 M Magnesium chloride hexahydrate, 0.1 M Tris, pH 7.0, 10 % v/v PEG 8000 |