5ZK1

Crystal Structure of the CRTC2(SeMet)-CREB-CRE complex

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	2018-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	50.271, 242.878, 40.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.932 - 3.050
R-factor	0.232
Rwork	0.228
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dh3
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.11.1-2575_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.137	0.064	1.513
Rmeas	0.149	0.070	1.660
Rpim	0.056	0.029	0.657
Number of reflections	5064	301	229
<I/σ(I)>	9.9
Completeness [%]	96.6	99.3	89.1
Redundancy	6.9	6.1	5
CC(1/2)		0.998	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	25% w/v polyethylene glycol 3,350, 0.1 M hepes (pH 7.5), 0.2 M lithium sulfate, 0.3 M sodium chloride