7BAA

Cys-42-tethered stabilizer 12 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	2017-07-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	82.002, 112.757, 62.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.479 - 1.100
R-factor	0.1852
Rwork	0.185
R-free	0.19720
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]	66.320	66.320	1.120
High resolution limit [Å]	1.100	6.020	1.100
Rmerge	0.063	0.042	0.797
Rmeas	0.067	0.044	0.941
Rpim	0.022	0.014	0.485
Total number of observations	1014756	7778	17279
Number of reflections	116246	819	5118
<I/σ(I)>	15.5	51.9	1.4
Completeness [%]	99.3	100	89.4
Redundancy	8.7	9.5	3.4
CC(1/2)	0.999	0.999	0.590

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