5YIS

Crystal Structure of AnkB 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	2015-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	61.802, 66.866, 74.148
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.712 - 2.201
R-factor	0.1997
Rwork	0.197
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ugm
RMSD bond length	0.009
RMSD bond angle	1.016
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.111	0.042	0.954
Rmeas	0.122	0.047	1.040
Rpim	0.048	0.019	0.407
Number of reflections	16051	869	778
<I/σ(I)>	8.5
Completeness [%]	99.5	95.4	100
Redundancy	6.3	5.8	6.4
CC(1/2)		0.998	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	2.4 M ammonium phosphate dibasic, 0.1 M Tris buffer (pH 8.5)