7BA3

Cys-42-tethered stabilizer 6 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	81.704, 112.201, 62.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.306 - 1.400
R-factor	0.1791
Rwork	0.178
R-free	0.20380
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]	66.050	66.050	1.420
High resolution limit [Å]	1.400	7.540	1.400
Rmerge	0.058	0.034	0.878
Rmeas	0.060	0.035	0.956
Rpim	0.017	0.010	0.366
Total number of observations	617476	5038	11399
Number of reflections	52725	426	1826
<I/σ(I)>	23	69.8	1.9
Completeness [%]	93.2	99.9	64
Redundancy	11.7	11.8	6.2
CC(1/2)	0.999	0.999	0.698

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