8DA2

Acinetobacter baumannii L,D-transpeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	91.473, 91.473, 105.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.060 - 2.600
R-factor	0.2202
Rwork	0.218
R-free	0.26480
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.100	2.720
High resolution limit [Å]	2.600	2.600
Rmeas	0.111
Rpim	0.041	0.420
Number of reflections	16048	1910
<I/σ(I)>	10.3	1.9
Completeness [%]	99.8
Redundancy	7.1
CC(1/2)	0.999	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M ammonium formate, 20% PEG 3350