1IJB

The von Willebrand Factor mutant (I546V) A1 domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	96
Detector technology	IMAGE PLATE
Collection date	2000-06-24
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 61
Unit cell lengths	86.010, 86.010, 68.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.188
Rwork	0.188
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1auq
RMSD bond length	0.005
RMSD bond angle	1.280 *
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.315
Total number of observations	63116 *
Number of reflections	25460	1012 *
<I/σ(I)>	19.9	3.2
Completeness [%]	94.6	76.7
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	PEG 4000, sodium citrate, ammonium acetate, 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	5 (mg/ml)
2	1	reservoir	sodium citrate	0.1 (M)	pH5.6
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	reservoir	PEG4000	30 (%)