7BA5

Cys-42-tethered stabilizer 7 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	81.382, 111.716, 62.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.169 - 1.450
R-factor	0.1893
Rwork	0.189
R-free	0.20090
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]	65.780	65.780	1.480
High resolution limit [Å]	1.450	7.810	1.450
Rmerge	0.085	0.041	1.472
Rmeas	0.089	0.043	1.546
Rpim	0.025	0.012	0.467
Total number of observations	603817	4372	27230
Number of reflections	48005	380	2563
<I/σ(I)>	15.7	55.5	1.7
Completeness [%]	95.1	99.8	99.9
Redundancy	12.6	11.5	10.6
CC(1/2)	0.999	0.999	0.690

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