6AMY

Crystal structure of a 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	64.360, 83.210, 148.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.946 - 2.850
R-factor	0.1813
Rwork	0.177
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gos
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.946	41.946	2.920
High resolution limit [Å]	2.850	12.750	2.850
Rmerge	0.060	0.027	0.526
Rmeas	0.065	0.029	0.561
Total number of observations	156216
Number of reflections	19263	251	1423
<I/σ(I)>	24.34	52.86	3.97
Completeness [%]	99.9	93.3	100
Redundancy	8.11	6.183	8.318
CC(1/2)	0.999	0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	AcbaC.00002.a.B1.PS02398 at 23.06 mg/mL against MCSG1 condition C12 0.1 M BisTris pH 6.5, 25% PEG 3350, crystal tracking ID 263652c12, unique puck ID tvb4-5