7BA7

Cys-42-tethered stabilizer 9 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	81.319, 111.740, 62.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.160 - 1.450
R-factor	0.1918
Rwork	0.191
R-free	0.20780
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]	65.750	65.750	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.099	0.082	1.327
Rmeas	0.103	0.086	1.510
Rpim	0.030	0.026	0.698
Total number of observations	543109	3962	7889
Number of reflections	48757	362	1786
<I/σ(I)>	13	39	0.9
Completeness [%]	96.8	99.8	73.1
Redundancy	11.1	10.9	4.4
CC(1/2)	0.998	0.998	0.427

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