5BZC

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	2012-12-16
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	30.970, 81.940, 32.060
Unit cell angles	90.00, 117.91, 90.00

Refinement procedure

Resolution	40.970 - 1.950
R-factor	0.1841
Rwork	0.182
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.466
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]	40.970		1.990
High resolution limit [Å]	1.940	8.680	1.940
Rmerge	0.098	0.024	0.382
Rmeas	0.114	0.029	0.448
Total number of observations	39128
Number of reflections	10233	122	673
<I/σ(I)>	14.37	41.97	3.43
Completeness [%]	97.0	96.1	88.2

Crystallization Conditions

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