28JE

BKPyV VP1 IN COMPLEX WITH VHH017

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	2022-12-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	85.830, 152.361, 91.933
Unit cell angles	90.00, 94.40, 90.00

Refinement procedure

Resolution	47.276 - 2.492
Rwork	0.193
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.988
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.300	2.520
High resolution limit [Å]	2.490	2.490
Rpim	0.104
Number of reflections	81528	2274
<I/σ(I)>	6.5	0.7
Completeness [%]	99.3	80.1
Redundancy	3.6
CC(1/2)	0.990	0.290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293.15	10% w/v PEG4000, 20% v/v glycerol, 0.1M MOPS/HEPES-Na pH 7.5, 0.02 M sodium L-glutamate, 0.02M DL-alanine, 0.02M glycine, 0.02M DL-lysine HCl, 0.02M DL-serine