6QDR

Crystal structure of 14-3-3sigma in complex with a PAK6 pT99 phosphopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	82.479, 112.397, 62.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.839 - 1.615
R-factor	0.1527
Rwork	0.151
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	xia2
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.840	41.850	1.640
High resolution limit [Å]	1.615	4.380	1.615
Rmeas	0.082	0.035	0.347
Rpim	0.033	0.014	0.246
Number of reflections	31456	2035	69
<I/σ(I)>	16.2	34.8	1.8
Completeness [%]	83.4	100	3.7
Redundancy	5.7	5.6	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.19 M CaCl2, 5% v/v glycerol, 28 % PEG400, 0.095 M HEPES, pH 7.1