4GSJ

Crystal structure of Atg7 NTD K14A F16A D18A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	56.826, 74.631, 76.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.612 - 1.695
R-factor	0.1777
Rwork	0.176
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t7f
RMSD bond length	0.006
RMSD bond angle	1.005
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.695	3.660	1.695
Rmerge	0.060	0.043	0.316
Number of reflections	35213
<I/σ(I)>	46.4
Completeness [%]	96.3	99.7	77.4
Redundancy	6.5	6.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.1	277	7.2% isopropanol, 50 mM citrate buffer, pH 4.1, 0.1 M potassium thiocyanate, VAPOR DIFFUSION, HANGING DROP, temperature 277K