8C3Z

14-3-3sigma bound to strep-tagged PKA-responsive ERa phosphopeptide

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	2022-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.241, 112.415, 62.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.470 - 1.400
R-factor	0.1754
Rwork	0.175
R-free	0.18630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.470	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	57074	2773
<I/σ(I)>	24.3	2.5
Completeness [%]	99.9
Redundancy	13.3
CC(1/2)	1.000	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol