7B9R

Cys-45-tethered stabilizer 4 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	2016-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	C 2 2 21
Unit cell lengths	82.071, 112.434, 62.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.035 - 1.150
R-factor	0.1918
Rwork	0.192
R-free	0.19570
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]	66.290	66.290	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.050	0.017	1.550
Rmeas	0.052	0.017	1.711
Rpim	0.015	0.005	0.704
Total number of observations	1199822	9074	21485
Number of reflections	99856	708	3878
<I/σ(I)>	24.8	126.7	1.1
Completeness [%]	97.6	99.8	77.9
Redundancy	12	12.8	5.5
CC(1/2)	1.000	1.000	0.449

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