1UEX

Crystal structure of von Willebrand Factor A1 domain complexed with snake venom bitiscetin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.000
Spacegroup name	P 43
Unit cell lengths	89.282, 89.282, 53.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.850
Rwork	0.194
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1JWI and 1AUQ
RMSD bond length	0.005
RMSD bond angle	22.850 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.990
High resolution limit [Å]	2.850	2.850
Rmerge	0.107 *	0.311 *
Total number of observations	51631 *
Number of reflections	9055 *	1456 *
<I/σ(I)>		2.3
Completeness [%]	91.6	91.6
Redundancy	5.6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5 *	283	10% PEG 6000, 2% PEG-MME 550, 5% MPD, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 283K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
3	1	reservoir	PEG6000	10 (%)
4	1	reservoir	MPD	5 (%)
5	1	reservoir	Bicine-Na	0.1 (M)	pH9.0
6	1	reservoir	PEG550 MME	20 (%)