1IJK

The von Willebrand Factor mutant (I546V) A1 domain-botrocetin Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	111
Detector technology	IMAGE PLATE
Collection date	2001-02-01
Detector	MARRESEARCH
Wavelength(s)	0.989
Spacegroup name	P 1 21 1
Unit cell lengths	65.664, 66.672, 69.402
Unit cell angles	90.00, 105.41, 90.00

Refinement procedure

Resolution	6.000 - 2.600
R-factor	0.219
Rwork	0.219
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.046	0.207
Total number of observations	49341 *
Number of reflections	18178	594 *
<I/σ(I)>	23.9
Completeness [%]	92.9	62.5
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	PEG 4000, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	sodium citrate	0.1 (M)	pH5.6
3	1	reservoir	PEG4000	16 (%)