5BZH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-12
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	30.850, 81.720, 32.120
Unit cell angles	90.00, 117.97, 90.00

Refinement procedure

Resolution	8.720 - 1.950
R-factor	0.1732
Rwork	0.170
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.377
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]	8.720		2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.017	0.013	0.033
Rmeas	0.020	0.016	0.040
Total number of observations	37452
Number of reflections	9978	114	722
<I/σ(I)>	56.83	89.38	33.96
Completeness [%]	96.3	91.2	93.5
Redundancy	3.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4