3ZQK

Von Willebrand Factor A2 domain with calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-29
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	156.020, 35.540, 88.460
Unit cell angles	90.00, 96.34, 90.00

Refinement procedure

Resolution	29.306 - 1.700
R-factor	0.1569
Rwork	0.155
R-free	0.19960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gxb PDB ENTRY 1ATZ
RMSD bond length	0.012
RMSD bond angle	1.396
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.800	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.600
Number of reflections	51448
<I/σ(I)>	10	2.8
Completeness [%]	99.6	99.1
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				PROTEIN BUFFER: 0.015 M HEPES PH 7.5, 0.02 M NACL, 0.001 M CACL2. RESERVOIR BUFFER: 0.1 M MMT (PH 4.0-5.5), 0.15 M (NH4)2SO4, 18-23% (W/V) PEG2000 MME.