4NT5

Crystal structure of human von Willebrand factor CTCK domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.28237
Spacegroup name	P 43 3 2
Unit cell lengths	135.340, 135.340, 135.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.850 - 3.281
R-factor	0.2261
Rwork	0.224
R-free	0.24760
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.460
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (in phenix.autosol)
Refinement software	PHENIX ((phenix.refine: dev_1426))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.850	3.370
High resolution limit [Å]	3.281	3.280
Rmerge	0.219	5.790
Number of reflections	12292
<I/σ(I)>	10.87	0.43
Completeness [%]	99.9	99.8
Redundancy	13.5	10.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	1.3 M Lithium Sulfate, 0.1 M Bicine, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K