7TXR

Crystal structure of the Vitronectin hemopexin-like domain binding Calcium-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	40.835, 98.277, 49.433
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	37.240 - 2.000
R-factor	0.1867
Rwork	0.184
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o5e
RMSD bond length	0.008
RMSD bond angle	1.395
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.240	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.112	0.510
Number of reflections	23919	1104
<I/σ(I)>	5.6
Completeness [%]	92.0	57.6
Redundancy	3.3	2.6
CC(1/2)	0.840	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 UL PROTEIN SOLUTION + 1 UL PRECIPITATE SOLUTION containing 0.09 M IMIDAZOLE/MES, PH 6.5, 27 mM SODIUM NITRATE, 27 mM SODIUM PHOSPHATE, 27 mM AMMONIUM SULFATE, 11.25% V/V MPD, 11.25% W/V PEG1000, 11.25% W/V PEG3350, 3% W/V D- (+)-TREHALOSE. Crystals were soaked with 1 mM CaCl2, 5 mM SODIUM SULFATE, 27 mM SODIUM NITRATE, 20 mM BisTris pH 7.0, 11.25% V/V MPD, 11.25% W/V PEG1000, 11.25% W/V PEG3350, 3% W/V D-(+)-TREHALOSE.