4P2Y

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-19
Detector	MAR CCD 165 mm
Wavelength(s)	1.041
Spacegroup name	I 2 2 2
Unit cell lengths	76.780, 113.390, 140.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.242 - 2.300
R-factor	0.1877
Rwork	0.187
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lp5 1k96
RMSD bond length	0.004
RMSD bond angle	0.875
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		2.360
High resolution limit [Å]	2.300	20.000	2.300
Rmerge	0.074	0.062	0.435
Rmeas	0.080	0.070	0.469
Number of reflections	27554	28	2048
<I/σ(I)>	15.56	17.16	4.12
Completeness [%]	99.7	49.1	100
Redundancy	7		7.2

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