5BZG

Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-29
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	30.987, 81.744, 32.236
Unit cell angles	90.00, 118.20, 90.00

Refinement procedure

Resolution	9.640 - 2.190
R-factor	0.1935
Rwork	0.191
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.321
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	9.640		2.210
High resolution limit [Å]	2.160	9.640	2.160
Rmerge	0.116	0.025	0.401
Rmeas	0.135	0.029	0.481
Total number of observations	27713
Number of reflections	7318	90	328
<I/σ(I)>	11.8	35.74	2.76
Completeness [%]	94.8	93.8	57
Redundancy	3.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG MME 5000, MES, (NH4)2SO4