8ZJ6

Acinetobacter baumannii ModA with molybdate DTT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	85.628, 39.949, 79.301
Unit cell angles	90.00, 109.44, 90.00

Refinement procedure

Resolution	33.560 - 1.390
R-factor	0.1632
Rwork	0.162
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h5y
RMSD bond length	0.005
RMSD bond angle	0.870
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.560	1.440
High resolution limit [Å]	1.390	1.390
Rmerge	0.076	0.738
Number of reflections	50299	19214
<I/σ(I)>	11.7
Completeness [%]	98.0
Redundancy	6.4
CC(1/2)	0.996	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium acetate trihydrate pH 4.6, 30% polyethylene glycol monomethyl ether 2000