7BA6

Cys-42-tethered stabilizer 8 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	81.570, 112.104, 62.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.274 - 1.400
R-factor	0.1848
Rwork	0.184
R-free	0.20600
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]	65.960	65.960	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.046	0.016	1.276
Rmeas	0.048	0.016	1.412
Rpim	0.014	0.005	0.589
Total number of observations	595358	4612	10735
Number of reflections	52562	402	1994
<I/σ(I)>	24.7	99.8	1.1
Completeness [%]	93.2	99.8	72.6
Redundancy	11.3	11.5	5.4
CC(1/2)	1.000	1.000	0.422

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