7NMW

Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 40

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	2018-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.496, 111.935, 62.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.970 - 1.500
R-factor	0.1556
Rwork	0.154
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	0.942
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.970	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.101	0.251
Number of reflections	46335	4379
<I/σ(I)>	17.09	7.55
Completeness [%]	99.1
Redundancy	12.8
CC(1/2)	0.996	0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol