9XHN

Crystal structure of the C-terminal domain of AcvB from Agrobacterium tumefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	47.159, 64.146, 68.823
Unit cell angles	85.83, 81.44, 87.70

Refinement procedure

Resolution	46.610 - 1.830
R-factor	0.1985
Rwork	0.197
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.830	1.830
Rmeas	0.094	1.142
Number of reflections	134703	21460
<I/σ(I)>	9.2	1.2
Completeness [%]	96.1	94.9
Redundancy	2.8
CC(1/2)	0.996	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M ammonium iodide, 0.1M sodium acetate (pH 6.0), 20% w/v PEG 3350