5C50

Crystal structure of the complex of human Atg101-Atg13 HORMA domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07207
Spacegroup name	C 1 2 1
Unit cell lengths	67.722, 64.447, 94.120
Unit cell angles	90.00, 97.54, 90.00

Refinement procedure

Resolution	46.653 - 1.630
R-factor	0.177
Rwork	0.176
R-free	0.19460
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.996
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX (dev_1819)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.630	3.510	1.630
Rmerge	0.092	0.076	0.486
Rmeas	0.099	0.082	0.562
Rpim	0.037	0.030	0.278
Total number of observations	263036
Number of reflections	49908
<I/σ(I)>	20.6
Completeness [%]	100.0	100	100
Redundancy	5.3	8	3.9
CC(1/2)		0.995	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	19% PEG 3350, 0.5 M benzamidine, and 0.2 M lithium citrate