8Q3Z

Crystal structure of cA4-bound Can2 from Thermoanaerobacter brockii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	57.966, 79.133, 94.214
Unit cell angles	90.00, 95.58, 90.00

Refinement procedure

Resolution	93.770 - 3.150
R-factor	0.225
Rwork	0.223
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	XDS (20220110)
Data scaling software	autoPROC (20230726)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.770	3.270
High resolution limit [Å]	3.150	3.150
Rmerge	0.138	0.905
Rmeas	0.150	0.981
Rpim	0.060	0.376
Number of reflections	14187	1474
<I/σ(I)>	7.3	2.24
Completeness [%]	95.7	100
Redundancy	6.3	6.7
CC(1/2)	0.997	0.708

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	50 mM Tris pH 8, 17.1% (v/v) PEG 550 MME, 4.3% (w/v) PEG 2000