6WQB

Crystal structure of VipF from Legionella hackeliae in complex with acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 2
Unit cell lengths	170.586, 36.427, 59.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 1.750
R-factor	0.1852
Rwork	0.184
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wqc
RMSD bond length	0.022
RMSD bond angle	1.668
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3448)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.790
High resolution limit [Å]	1.750	1.760
Rmerge	0.060	0.756
Rpim	0.030	0.382
Number of reflections	38174	1866
<I/σ(I)>	30.54	1.9
Completeness [%]	99.9	99.8
Redundancy	4.9	4.8
CC(1/2)	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% (w/v) PEG3350, 0.2 M calcium chloride, 5 mM acetyl-CoA, Cryoprotectant: paratone