9XHM

Crystal structure 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	2022-02-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	66.565, 76.273, 77.219
Unit cell angles	113.86, 98.35, 106.78

Refinement procedure

Resolution	40.600 - 3.130
R-factor	0.2272
Rwork	0.225
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.533
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	3.320
High resolution limit [Å]	3.130	3.130
Rmeas	0.156	1.251
Number of reflections	43700	6964
<I/σ(I)>	6.5	1
Completeness [%]	97.2	95.4
Redundancy	2.7	2.4
CC(1/2)	0.991	0.426

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	2.4M Sodium malonate (pH 7.0)