6G8Q

14-3-3sigma in complex with a A130beta3A and Q133beta3Q 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	82.108, 111.900, 62.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.950 - 1.850
R-factor	0.1456
Rwork	0.144
R-free	0.17540
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]	66.200	66.200	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.126	0.068	0.665
Rmeas	0.132	0.072	0.718
Rpim	0.039	0.023	0.259
Total number of observations	275807	2630	9916
Number of reflections	24839	260	1364
<I/σ(I)>	12.6	22.8	2.7
Completeness [%]	99.3	99.9	90.8
Redundancy	11.1	10.1	7.3
CC(1/2)	0.995	0.993	0.770

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