6WQM

Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Bartonella henselae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2020-01-08
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	68.840, 228.220, 71.190
Unit cell angles	90.00, 120.10, 90.00

Refinement procedure

Resolution	46.890 - 2.150
R-factor	0.207
Rwork	0.206
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eg4 as per MoRDa
RMSD bond length	0.007
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.18rc7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.890	46.890	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.090	0.053	0.328
Rmeas	0.093	0.055	0.354
Total number of observations	1298212
Number of reflections	101155	1160	6524
<I/σ(I)>	19.06	34.2	4.81
Completeness [%]	98.2	97.5	86.1
Redundancy	12.834	14.536	6.505
CC(1/2)	0.998	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytic MCSG-1 screen, condition B9: 200mM MgCl2, 20% (w/V) PEG 3350: BaheA.00606.a.AE1.PS38599 at 31.38mg/ml, cryo: 20% EG in 2 steps, tray 312827b9, puck ocl1-1