5YIQ

Crystal structure of AnkG LIR/LC3B complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 65 2 2
Unit cell lengths	64.553, 64.553, 155.461
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.2194
Rwork	0.217
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ugm
RMSD bond length	0.008
RMSD bond angle	1.265
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.134	0.048	1.210
Rmeas	0.149	0.055	1.338
Rpim	0.064	0.025	0.563
Number of reflections	6417	385	310
<I/σ(I)>	7.4		1.9
Completeness [%]	99.7	96	100
Redundancy	5.3	4.3	5.6
CC(1/2)		0.998	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	289	10% v/v 2-propanol, 0.2 M zinc acetate, 0.1 M MES buffer (pH 6.5)