5BZJ

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	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	30.871, 81.503, 32.181
Unit cell angles	90.00, 118.11, 90.00

Refinement procedure

Resolution	40.870 - 1.400
R-factor	0.1848
Rwork	0.184
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.492
Data scaling software	SCALA
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.503	81.503	1.405
High resolution limit [Å]	1.400	6.497	1.400
Rmerge	0.073	0.077	0.149
Total number of observations	89871	889	895
Number of reflections	26735
<I/σ(I)>	12
Completeness [%]	97.0	94.7	95.9
Redundancy	3.4	3.3	3.5

Crystallization Conditions

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