4YBH

Crystal structure of the human RAGE ectodomain (VC1C2 fragment) in complex with human S100A6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-08
Detector	PSI PILATUS 6M
Wavelength(s)	0.8726
Spacegroup name	I 2 2 2
Unit cell lengths	75.980, 112.530, 139.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.799 - 2.400
R-factor	0.1967
Rwork	0.195
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p2y
RMSD bond length	0.006
RMSD bond angle	0.701
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.500
High resolution limit [Å]	2.400	20.000	2.400
Rmerge	0.082	0.023	0.723
Rmeas	0.093	0.027	0.819
Total number of observations	110920
Number of reflections	23764	48	2738
<I/σ(I)>	14.21	48.62	2.06
Completeness [%]	99.6	84.2	99.7
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2 M Zn acetate, 0.1 M Na cacodylate pH 6.5, 10% isopropanol