5XV3

Crystal structure of ATG101-ATG13HORMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-15
Detector	RAYONIX MX225HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	86.775, 101.116, 125.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.593 - 2.570
R-factor	0.2348
Rwork	0.232
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xuy
RMSD bond length	0.004
RMSD bond angle	0.766
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.610
High resolution limit [Å]	2.570	6.970	2.570
Rmerge	0.092	0.031	0.889
Rmeas	0.098	0.034	0.948
Rpim	0.034	0.012	0.327
Total number of observations	299829
Number of reflections	36347
<I/σ(I)>	7.5
Completeness [%]	100.0	99.1	100
Redundancy	8.2	7.6	8.2
CC(1/2)		0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES (pH7.5), 0.2M MgCl2, 6-8% (w/v) PEG 3350