6TCH

Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-15
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.542
Spacegroup name	C 2 2 21
Unit cell lengths	82.475, 112.282, 62.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.082 - 1.801
R-factor	0.1498
Rwork	0.148
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.082	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.258
Number of reflections	27313	1325
<I/σ(I)>	18.7	5.5
Completeness [%]	100.0
Redundancy	6.1
CC(1/2)	0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.095 M Na-HEPES pH 7.5 26.6% (v/v) PEG400 0.19 M Ca chloride 5% (v/v) Glycerol