6G8L

14-3-3sigma in complex with a 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	2016-04-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.258, 111.969, 62.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.533 - 1.370
R-factor	0.1362
Rwork	0.136
R-free	0.15720
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]	66.290	66.290	1.390
High resolution limit [Å]	1.370	7.500	1.370
Rmerge	0.133	0.118	0.640
Rmeas	0.140	0.124	0.723
Rpim	0.043	0.036	0.327
Total number of observations	602191
Number of reflections	60861	438	2881
<I/σ(I)>	10.8
Completeness [%]	99.8	99.9	96
Redundancy	9.9	11.4	4.4
CC(1/2)	0.992	0.979	0.708

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