7BA9

Cys-42-tethered stabilizer 11 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	2017-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	81.736, 112.087, 62.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.317 - 1.480
R-factor	0.1815
Rwork	0.180
R-free	0.21180
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	1.510
High resolution limit [Å]	1.480	8.110	1.480
Rmerge	0.091	0.024	1.741
Rmeas	0.094	0.025	1.810
Rpim	0.026	0.007	0.492
Total number of observations	624764	4221	30314
Number of reflections	47850	351	2329
<I/σ(I)>	17.8	75.3	1.6
Completeness [%]	99.8	99.8	99.6
Redundancy	13.1	12	13
CC(1/2)	1.000	1.000	0.657

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