6Y44

14-3-3 Sigma in complex with phosphorylated SOS1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.541
Spacegroup name	C 2 2 21
Unit cell lengths	81.769, 111.627, 62.792
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 1.710
R-factor	0.1756
Rwork	0.174
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lw1
RMSD bond length	0.006
RMSD bond angle	0.782
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.810	1.773
High resolution limit [Å]	1.710	1.712
Number of reflections	31307	3088
<I/σ(I)>	8
Completeness [%]	99.8	99.01
Redundancy	6
CC(1/2)	0.900	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	28% (v/v) PEG400, 1.25% glycerol, 0.2M CaCl, 0.1M HEPES pH 7.5, 2mM BME