8BX3
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
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) | 0.976292 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.920, 112.508, 62.491 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.960 - 1.200 |
R-factor | 0.1824 |
Rwork | 0.182 |
R-free | 0.18940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.025 |
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] | 41.810 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 90165 | 4411 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 100.0 | |
Redundancy | 12.7 | |
CC(1/2) | 1.000 | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.095 M HEPES (pH 7.3), PEG400 (26% (v/v)), 0.19 M CaCl2 and 5% (v/v) Glycerol |