8F8O

Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97864
Spacegroup name	P 21 21 21
Unit cell lengths	67.659, 102.533, 145.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.860 - 2.100
R-factor	0.19116
Rwork	0.189
R-free	0.22965
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.325
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.143
Rmeas	0.154
Rpim	0.056	0.419
Number of reflections	59464	2947
<I/σ(I)>	12.6	1.8
Completeness [%]	99.7	99.9
Redundancy	7.4	7.7
CC(1/2)	0.994	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 8.0 mg/ml, 0.15M Sodium chloride, 0.01M Tris pH 8.3, 2mM N6-Me-L,L-SDAP; Screen: Peg's II (H1), 0.1M M tri-Sodium citrate, 33% (w/v) PEG6000.