5YIR

Crystal Structure of AnkB LIR/GABARAP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97774
Spacegroup name	P 32
Unit cell lengths	84.637, 84.637, 89.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.591 - 2.750
R-factor	0.1846
Rwork	0.182
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kjt
RMSD bond length	0.006
RMSD bond angle	1.119
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.099	0.048	0.560
Rmeas	0.110	0.053	0.621
Rpim	0.047	0.022	0.266
Number of reflections	18585	934	926
<I/σ(I)>	3.9
Completeness [%]	99.6	99.9	99.9
Redundancy	5.2	5.7	5.4
CC(1/2)		0.997	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	12% w/v PEG 3350, 5 mM CoCl2, 5 mM NiCl2, 5 mM CdCl2, 5 mM MgCl2, 0.1 M HEPES buffer (pH 7.5)