7B9T

Cys-45-tethered stabilizer 5 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	81.972, 112.514, 62.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.307 - 1.150
R-factor	0.1856
Rwork	0.185
R-free	0.19430
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]	66.250	66.250	1.170
High resolution limit [Å]	1.150	6.300	1.150
Rmerge	0.062	0.029	1.381
Rmeas	0.064	0.030	1.525
Rpim	0.018	0.008	0.626
Total number of observations	1190980	8802	21679
Number of reflections	100737	707	3954
<I/σ(I)>	19	74.3	1.1
Completeness [%]	98.0	99.7	78.1
Redundancy	11.8	12.4	5.5
CC(1/2)	1.000	0.999	0.558

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