3W1S

Crystal structure of Saccharomyces cerevisiae Atg12-Atg5 conjugate bound to the N-terminal domain of Atg16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-06-03
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	72.149, 106.084, 143.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.600 - 2.600
R-factor	0.231
Rwork	0.231
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dym 1wz3
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.600	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	17173
<I/σ(I)>	9.6
Completeness [%]	99.9	100
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	12% PEG10000, 0.5M potassium thiocyanate, 0.1M ADA, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K