6WXX

crystal structure of cA4-activated Card1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	85.064, 121.216, 103.708
Unit cell angles	90.00, 113.06, 90.00

Refinement procedure

Resolution	28.880 - 3.000
R-factor	0.2053
Rwork	0.204
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo Cad1
RMSD bond length	0.006
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.143	1.215
Rmeas	0.165	1.421
Rpim	0.082	0.726
Number of reflections	38486	38486
<I/σ(I)>	8.06	1.06
Completeness [%]	98.7
Redundancy	3.9
CC(1/2)	0.994	0.457

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M citric acid, 10% PEG6000 (v/v), final pH 5.0