7BA8

Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI

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]	80
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	81.702, 112.163, 62.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.305 - 1.200
R-factor	0.1864
Rwork	0.185
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (dev_3139)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.040	66.040	1.220
High resolution limit [Å]	1.200	6.460	1.200
Rmerge	0.064	0.041	1.159
Rmeas	0.067	0.042	1.288
Rpim	0.019	0.011	0.536
Total number of observations	1064974	8393	22511
Number of reflections	89026	655	4245
<I/σ(I)>	18.2	61.2	1.4
Completeness [%]	99.6	99.9	94.3
Redundancy	12	12.8	5.3
CC(1/2)	0.999	0.999	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	277	0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol