8AH2

Crystal structure of human 14-3-3 zeta fused to the NPM1 peptide including phosphoserine-48

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-07
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	I 21 21 21
Unit cell lengths	79.696, 110.207, 163.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.910 - 2.900
R-factor	0.2722
Rwork	0.270
R-free	0.32260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fnc
RMSD bond length	0.007
RMSD bond angle	1.363
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.8)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	21.910	21.910	3.080
High resolution limit [Å]	2.900	8.700	2.900
Rmerge	0.157	0.022	1.659
Rmeas	0.168	0.025	1.761
Rpim	0.058	0.011	0.584
Total number of observations	131674	3012	23356
Number of reflections	16235	618	2602
<I/σ(I)>	10.4	40.4	1
Completeness [%]	99.5	92.7	100
Redundancy	8.1	4.9	9
CC(1/2)	0.999	0.999	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	0.01 M CoCl2, 0.1 M MES, pH 6.5, 2.2 M (NH4)2SO4