5JXM

Crystal Structure of Prenyltransferase PriB Apo Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-09
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	C 1 2 1
Unit cell lengths	103.526, 83.723, 41.527
Unit cell angles	90.00, 106.27, 90.00

Refinement procedure

Resolution	27.555 - 1.150
R-factor	0.1792
Rwork	0.179
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5inj
RMSD bond length	0.018
RMSD bond angle	1.516
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.691	49.691	1.150
High resolution limit [Å]	1.080	3.240	1.080
Rmerge	0.069	0.038	2.602
Number of reflections	131276
<I/σ(I)>	8.15	32.1	0.32
Completeness [%]	90.6	98.6	51.9
Redundancy	3.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	PriB was crystallized by sitting drop vapor diffusion method by 1:1 v/v mixing of 10 mg/mL PriB solution in the presence of 1 mM L-Tryptophan and 1 mM daptomycin with reservoir solution containing 0.1 M Tris pH 8.5, 20% w/v PEG 3350, 0.1 M MgCl2. The mixed drops of 0.4-1 uL were equilibrated over a reservoir solution of 50 uL and incubated at 20oC in the dark. The iodine derivative was prepared by 1:3 v/v soaking a solution of 0.5 M sodium iodide, 0.05 M Tris pH 8.5, 10% w/v PEG 3350, 0.05 M MgCl2 into PriB crystals