8ZJ8

Acinetobacter baumannii ModA with molybdate 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 PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	47.312, 73.773, 79.146
Unit cell angles	94.72, 107.43, 100.58

Refinement procedure

Resolution	33.520 - 1.440
R-factor	0.2763
Rwork	0.276
R-free	0.30540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zj6
RMSD bond length	0.007
RMSD bond angle	1.043
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]	33.520	1.490
High resolution limit [Å]	1.440	1.440
Rmerge	0.065	0.935
Number of reflections	167285	15781
<I/σ(I)>	7.5
Completeness [%]	92.1
Redundancy	3.5
CC(1/2)	0.998	0.743

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