7E5B

Crystal structure of ASC PYD Domain and Rb-B7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	79.481, 79.481, 279.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.650 - 2.290
R-factor	0.1972
Rwork	0.195
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lbx
RMSD bond length	0.008
RMSD bond angle	0.974
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.650	2.370
High resolution limit [Å]	2.290	2.290
Rmerge	0.071	0.604
Number of reflections	40516	3978
<I/σ(I)>	23.9	2.5
Completeness [%]	98.2
Redundancy	15.8
CC(1/2)	0.990	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	290	0.2M Ammonium Sulfate, 0.1M Bis-Tris:HCl pH 5.5, 25% (w/v) PEG 3350, 0.1M TCEP hydrochloride