7D9V

CRTC1 pSer245 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	2019-10-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.2782
Spacegroup name	P 21 21 21
Unit cell lengths	70.975, 83.158, 110.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.110 - 2.210
R-factor	0.208
Rwork	0.206
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a4o
Data reduction software	AUTOMAR
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.117	0.041	0.795
Rmeas	0.129	0.045	0.879
Rpim	0.053	0.019	0.368
Total number of observations	207559
Number of reflections	36010	1993	1601
<I/σ(I)>	4
Completeness [%]	98.4	99.7	88.4
Redundancy	5.8	5.7	4.8
CC(1/2)		0.998	0.896

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