6XQ3

Receptor for Advanced Glycation End Products VC1 domain in complex with 3-(3-(((3-(4-Carboxyphenoxy)benzyl)oxy)methyl)phenyl)-1H-indole-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 62
Unit cell lengths	102.475, 102.475, 101.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.680 - 1.710
R-factor	0.193
Rwork	0.192
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lp4
RMSD bond length	0.018
RMSD bond angle	1.766
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.056	0.285
Rpim	0.018	0.094
Number of reflections	66015	6560
<I/σ(I)>	20.5	7.89
Completeness [%]	98.7
Redundancy	4.4	4.3
CC(1/2)	0.994	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.5 M NaOAc (pH 7.5)