8BYO
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-28 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97629 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.839, 112.354, 62.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.230 - 1.200 |
R-factor | 0.1646 |
Rwork | 0.164 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.982 |
Data reduction software | DIALS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.830 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 90431 | 4402 |
<I/σ(I)> | 18.6 | |
Completeness [%] | 100.0 | |
Redundancy | 12.9 | |
CC(1/2) | 1.000 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.1), PEG400 (24% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |