6G8K

14-3-3sigma in complex with a S131beta3S 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	2016-04-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.260, 111.730, 62.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.865 - 1.250
R-factor	0.1415
Rwork	0.141
R-free	0.15970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mhr
Data reduction software	MOSFLM
Data scaling software	Aimless (0.6.3)
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	1.270
High resolution limit [Å]	1.250	6.850	1.250
Rmerge	0.101	0.077	0.853
Rmeas	0.106	0.081	0.915
Rpim	0.030	0.023	0.324
Total number of observations	932846
Number of reflections	79674	562	3840
<I/σ(I)>	12.4
Completeness [%]	99.9	99.9	98.8
Redundancy	11.7	12.7	7.6
CC(1/2)	0.995	0.980	0.669

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