7D8H

CRTC1 pSer64 peptide in complex with 14-3-3 zeta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	87.690, 111.010, 71.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.810 - 2.420
R-factor	0.2125
Rwork	0.211
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qjb
Data reduction software	AUTOMAR
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.500	71.500	2.480
High resolution limit [Å]	2.420	10.820	2.420
Rmerge	0.087	0.068	0.414
Rmeas	0.095	0.076	0.450
Rpim	0.037	0.034	0.174
Total number of observations	86987	842	6487
Number of reflections	13653	189	979
<I/σ(I)>	6.4	9.7	2.2
Completeness [%]	99.8	99.1	99.4
Redundancy	6.4	4.5	6.6
CC(1/2)	0.997	0.995	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	200mM Ammonium acetate, 100mM Bis-Tris (pH6.5), 25% (w/v) Polyethylene glycol 3350