9WHB

Crystal structure of VanH from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2022-11-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	104.630, 104.630, 237.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.660 - 2.390
R-factor	0.2467
Rwork	0.245
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17_3644: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.660	2.475
High resolution limit [Å]	2.390	2.390
Number of reflections	53001	5204
<I/σ(I)>	29.72
Completeness [%]	99.9
Redundancy	26.9
CC(1/2)	1.000	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.8M Lithium sulfate monohydrate 0.05M sodium cacodylate trihydrate pH 6.0 0.01M Magnesium sulfate heptahydrate