8ZJA

Acinetobacter baumannii ModA with tungstate H2O2

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 PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	86.112, 39.727, 79.352
Unit cell angles	90.00, 109.35, 90.00

Refinement procedure

Resolution	33.640 - 1.440
R-factor	0.1771
Rwork	0.177
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zj6
RMSD bond length	0.010
RMSD bond angle	1.144
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]	33.640	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.910
Number of reflections	299495	23859
<I/σ(I)>	9.6
Completeness [%]	98.5
Redundancy	6.5
CC(1/2)	0.998	0.998

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