6G8P

14-3-3sigma in complex with a P129beta3P and L132beta3L 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	82.037, 111.499, 62.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.592 - 1.900
R-factor	0.1348
Rwork	0.133
R-free	0.15860
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]	66.080	66.080	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.085	0.079	0.182
Rmeas	0.089	0.084	0.194
Rpim	0.026	0.027	0.066
Total number of observations	257393	2491	11431
Number of reflections	22902	249	1399
<I/σ(I)>	21.1	26.1	10.3
Completeness [%]	99.7	99.9	95.7
Redundancy	11.2	10	8.2
CC(1/2)	0.992	0.983	0.983

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