28JD

BKPyV VP1 IN COMPLEX WITH scFv 319C07

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	2025-02-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	110.250, 151.890, 164.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	111.904 - 3.726
Rwork	0.246
R-free	0.29410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.245
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.904	3.790
High resolution limit [Å]	3.700	3.770
Rpim	0.023
Number of reflections	29566	1460
<I/σ(I)>	3.7	0.7
Completeness [%]	99.9
Redundancy	8.5
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	293.15	10% (w/v) PEG 6,000 100 mM Bicine pH 9.0