9IH0

Crystal structure of Vaspin with PolyP45

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	143.257, 147.977, 62.464
Unit cell angles	90.00, 104.95, 90.00

Refinement procedure

Resolution	35.370 - 2.260
R-factor	0.2189
Rwork	0.218
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.080	2.480
High resolution limit [Å]	2.260	2.260
Number of reflections	40630	2032
<I/σ(I)>	11.4
Completeness [%]	91.2
Redundancy	7
CC(1/2)	0.998	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.1 M ammonium sulfate, 0.1 M sodium citrate, pH 5.1, 9% (w/v) PEG 4000, 5% (v/v) DMSO, 0.5% (w/v) n-Octyl-beta-D-glucoside