4GDL

Crystal Structure of Human Atg12~Atg5 Conjugate in Complex with an N-terminal Fragment of Atg16L1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0092
Spacegroup name	C 1 2 1
Unit cell lengths	136.601, 58.399, 91.802
Unit cell angles	90.00, 130.04, 90.00

Refinement procedure

Resolution	36.224 - 2.875
R-factor	0.2186
Rwork	0.215
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.510
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.875	6.240	2.900
Rmerge	0.056	0.031	0.541
Number of reflections	12548
<I/σ(I)>	14.9
Completeness [%]	98.6	98.9	92.4
Redundancy	4.4	4.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PROTEIN: 10 MG/ML in 0.01M HEPES pH 7.0, 0.3 M NaCl, 0.001 M DTT; RESERVOIR: 0.1M BICINE pH9.0, 0.2 M sodium phosphate dibasic, 18% PEG 3350, vapor diffusion, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP