6G8J

14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide

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]	100
Detector technology	PIXEL
Collection date	2016-07-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.149, 112.019, 62.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.009 - 1.470
R-factor	0.1592
Rwork	0.159
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.240	66.240	1.500
High resolution limit [Å]	1.470	8.050	1.470
Rmerge	0.099	0.053	0.966
Rmeas	0.104	0.056	1.013
Rpim	0.029	0.016	0.298
Total number of observations	594758	4284	25334
Number of reflections	48301	355	2286
<I/σ(I)>	14.3	37.5	2.4
Completeness [%]	97.8	99.8	94.4
Redundancy	12.3	12.1	11.1
CC(1/2)	0.994	0.972	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol