7T1Q

Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic Acid

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	2021-09-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97848
Spacegroup name	P 21 21 21
Unit cell lengths	68.323, 103.460, 145.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.710 - 2.250
R-factor	0.19
Rwork	0.188
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uej
RMSD bond length	0.004
RMSD bond angle	1.352
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.145
Rmeas	0.151
Rpim	0.043	0.607
Number of reflections	50400	2507
<I/σ(I)>	20.2	1.7
Completeness [%]	100.0	100
Redundancy	12.2	12.5
CC(1/2)	0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	292	Protein: 10.6 mg/ml, 0.15M Sodium chloride, 0.01M Tris pH 8.3, 2mM N6-Me-L,L-SDAP; Screen: Classics II (D5), 0.1M Sodium acetate pH 4.5, 25% (w/v) PEG3350