5XV4

Crystal structure of ATG101-ATG13HORMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1 2 1
Unit cell lengths	101.287, 125.356, 174.618
Unit cell angles	90.00, 95.69, 90.00

Refinement procedure

Resolution	35.782 - 2.950
R-factor	0.2867
Rwork	0.286
R-free	0.31280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xuy
RMSD bond length	0.003
RMSD bond angle	0.585
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	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.089	0.048	0.579
Rmeas	0.104	0.056	0.682
Rpim	0.054	0.028	0.355
Total number of observations	317835
Number of reflections	89076
<I/σ(I)>	5.6
Completeness [%]	97.6	98.9	94.4
Redundancy	3.6	3.8	3.4
CC(1/2)		0.997	0.956

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