8ZPC

Acinetobacter baumannii Penicillin-Binding Protein 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	121.436, 151.531, 177.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.381 - 3.313
R-factor	0.1979
Rwork	0.195
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.295
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.381	3.432
High resolution limit [Å]	3.313	3.313
Number of reflections	24479	2241
<I/σ(I)>	9.6
Completeness [%]	99.1
Redundancy	12.9
CC(1/2)	0.984	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	10% (w/v) PEG 2000 MME, 100 mM Sodium acetate/ Acetic acid pH 5.5, 200 mM Ammonium sulfate