6MGG

Succinyl-CoA synthase from Francisella tularensis, phosphorylated, in complex with CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	66.911, 158.338, 73.585
Unit cell angles	90.00, 111.73, 90.00

Refinement procedure

Resolution	38.180 - 1.780
R-factor	0.1784
Rwork	0.176
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jkj
RMSD bond length	0.011
RMSD bond angle	1.522
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.180	38.180	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.067	0.040	0.712
Rmeas	0.078	0.047	0.859
Rpim	0.040	0.025	0.476
Number of reflections	134691	6819	6701
<I/σ(I)>	10.4		1.79
Completeness [%]	100.0	99.6	100
Redundancy	3.8	3.7	3.2
CC(1/2)		0.996	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.2 M magnesium chloride, 0.1 M Tris buffer, 16% PEG 4000