6WXY

crystal structure of cA6-bound Card1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	172.911, 124.763, 42.259
Unit cell angles	90.00, 96.79, 90.00

Refinement procedure

Resolution	85.850 - 2.100
R-factor	0.2081
Rwork	0.206
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo Cad1
RMSD bond length	0.007
RMSD bond angle	0.947
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]	85.850	2.178
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.630
Rmeas	0.067	0.733
Rpim	0.033	0.368
Number of reflections	51025	4689
<I/σ(I)>	15.48	1.98
Completeness [%]	98.4	92.05
Redundancy	3.9	3.8
CC(1/2)	0.998	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.2 M NaCl, 0.1 M Na/K phosphate, pH 6.2, and 20% PEG1000 (v/v)