6CKT

Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase from Legionella pneumophila Philadelphia 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	H 3
Unit cell lengths	101.730, 101.730, 70.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.428 - 1.800
R-factor	0.1599
Rwork	0.157
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tk8 as per Morda
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((dev_3026))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.428	37.428	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.031	0.018	0.450
Rmeas	0.035	0.020	0.502
Number of reflections	25336	284	1881
<I/σ(I)>	20.77	48.85	3.03
Completeness [%]	99.8	98.6	99.7
Redundancy	5.028	5.239	5.126
CC(1/2)	1.000	0.999	0.937

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	285	Optimization screen based on RigakuReagents JCSG+ screen B4 and Microlytic MCSG1 screen B4: 11% PEG 8000, 100Mm HEPES free acid/NaOH pH 7.0: LepnA.00002.a.B1.PS38381 at 20mg/ml: cryo: 25% EG: tray 298088d1: puck FVT5-8