7RJ9

Crystal structure of the Vitronectin hemopexin-like domain binding Calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	40.832, 125.575, 40.883
Unit cell angles	90.00, 119.25, 90.00

Refinement procedure

Resolution	35.690 - 1.700
R-factor	0.173
Rwork	0.171
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o5e
RMSD bond length	0.010
RMSD bond angle	1.546
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]	35.690	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.061	0.593
Number of reflections	38571	1742
<I/σ(I)>	10.6
Completeness [%]	97.9
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1 UL PROTEIN SOLUTION + 1 UL PRECIPITATE SOLUTION contaning 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 the well solution containing 100 mM CaCl2 and missing SODIUM PHOSPHATE, AMMONIUM SULFATE, and IMIDAZOLE/MES