8ZJ9

Acinetobacter baumannii ModA with tungstate 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	85.591, 40.010, 79.261
Unit cell angles	90.00, 109.49, 90.00

Refinement procedure

Resolution	31.390 - 1.350
R-factor	0.168
Rwork	0.167
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zj6
RMSD bond length	0.008
RMSD bond angle	0.964
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]	31.390	1.440
High resolution limit [Å]	1.350	1.350
Number of reflections	328310	16352
<I/σ(I)>	12.7
Completeness [%]	92.3
Redundancy	6.4
CC(1/2)	0.998	0.963

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