5XV6

Crystal structure of ATG101-ATG13HORMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9800
Spacegroup name	C 2 2 21
Unit cell lengths	84.019, 123.485, 99.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.899 - 2.455
R-factor	0.2291
Rwork	0.225
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xuy
RMSD bond length	0.009
RMSD bond angle	1.100
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	2.480
High resolution limit [Å]	2.440	6.620	2.440
Rmerge	0.090	0.060	0.912
Rmeas	0.098	0.066	0.984
Rpim	0.038	0.027	0.363
Total number of observations	136207
Number of reflections	19228
<I/σ(I)>	8.1
Completeness [%]	99.6	98.4	99.3
Redundancy	7.1	6.2	7.1
CC(1/2)		0.995	0.811

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