7OBH

Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5419
Spacegroup name	C 2 2 21
Unit cell lengths	82.475, 112.195, 62.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.230 - 2.000
R-factor	0.1437
Rwork	0.142
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.009
RMSD bond angle	1.034
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]	33.230	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.101	0.243
Number of reflections	19953	979
<I/σ(I)>	13.4	6.6
Completeness [%]	100.0	99.7
Redundancy	6.3	6
CC(1/2)	0.995	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.095 M Hepes pH 7.3, 25%PEG 400, 0.19 M CaCl2 and 5 % Glycerol