9RQK

COXSACKIE B3 2C PROTEIN IN COMPLEX WITH COMPOUND 53

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	49.665, 55.724, 80.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.730 - 1.722
R-factor	0.1976
Rwork	0.196
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.730	1.727
High resolution limit [Å]	1.722	1.722
Rmerge	0.103
Rmeas	0.110
Rpim	0.038
Number of reflections	24150	242
<I/σ(I)>	13.8
Completeness [%]	99.8
Redundancy	8.3
CC(1/2)	0.999	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M imidazole malate (pH 7.0) polyethylene glycol (PEG) 4K 10-20%.