6DJ8

Structure of DNA polymerase III subunit beta from Borrelia burgdorferi in complex with a natural product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	84.380, 68.290, 86.320
Unit cell angles	90.00, 113.70, 90.00

Refinement procedure

Resolution	42.000 - 2.050
R-factor	0.203
Rwork	0.202
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (DEV_3126)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	42.000
High resolution limit [Å]	2.050	2.050
Rmerge	0.040	0.487
Rmeas	0.046	0.033
Total number of observations	232442
Number of reflections	56445	663
<I/σ(I)>	19.17	2.36
Completeness [%]	99.5	96.7
Redundancy	4.118	3.674
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Morpheus Screen G4: 0.02M each Sodium formate, Ammonium acetate, Sodium citrate tribasic dihydrate, Sodium potassium tartrate tetrahydrate, Sodium oxamate: 0.1 M Imidazole/MES buffer pH 6.5, 12.5% MPD, 12.5% PEG 1000, 12.5% PEG3350: mixed 0.4:0.4 with BobuA.17987.a.B1.PW38224 at 20mg/ml. Co-crystallized with 1mM Griselmycin: direct cryo: tray 292391G4: puck YYX8-8