9JN3

Crystal structure of AvpGT in complex with Ara-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17UM
Synchrotron site	SSRF
Beamline	BL17UM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	43.302, 95.114, 70.988
Unit cell angles	90.00, 101.12, 90.00

Refinement procedure

Resolution	24.810 - 2.400
R-factor	0.1845
Rwork	0.181
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9jma
RMSD bond length	0.011
RMSD bond angle	1.251
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.810	2.486
High resolution limit [Å]	2.400	2.400
Number of reflections	22081	2187
<I/σ(I)>	6.64	2.34
Completeness [%]	99.6
Redundancy	6.5
CC(1/2)	0.983	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG 6000, 0.1 M Hepes, 0.2 M Calcium chloride dihydrate