8Z0H

Crystal structure of 9-mer peptide from ALV-J in complex with BF2*0201

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 1 21 1
Unit cell lengths	86.614, 115.584, 94.107
Unit cell angles	90.00, 111.16, 90.00

Refinement procedure

Resolution	87.763 - 1.720
Rwork	0.182
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.511
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.580	1.760
High resolution limit [Å]	1.720	1.720
Number of reflections	180693	13135
<I/σ(I)>	11.2	2.3
Completeness [%]	98.9
Redundancy	3.3
CC(1/2)	0.993	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.0 M Succinic acid pH 7.0, 0.1 M HEPES pH 7.0, 1% w/v Polyethylene glycol monomethyl ether 2,000