7BAB

Cys-42-tethered stabilizer 13 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	2016-04-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	81.720, 112.164, 62.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.402 - 1.300
R-factor	0.1936
Rwork	0.193
R-free	0.20110
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	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.148	0.082	3.153
Rmeas	0.154	0.085	3.287
Rpim	0.042	0.024	0.916
Total number of observations	915553	6143	43405
Number of reflections	70776	499	3463
<I/σ(I)>	10	35.4	0.9
Completeness [%]	100.0	99.9	99.9
Redundancy	12.9	12.3	12.5
CC(1/2)	0.998	0.998	0.355

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