6DJK

Structure of DNA polymerase III subunit beta from Rickettsia typhi 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	2018-04-19
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	147.500, 43.730, 83.900
Unit cell angles	90.00, 121.46, 90.00

Refinement procedure

Resolution	38.766 - 1.850
R-factor	0.1747
Rwork	0.173
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5W7W-A AS PER MORDA
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.766	38.766	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.036	0.021	0.494
Rmeas	0.043	0.025	0.589
Total number of observations	130762
Number of reflections	39292	462	2901
<I/σ(I)>	19.59	50.5	2.73
Completeness [%]	99.4	93.3	99.7
Redundancy	3.328	2.874	3.312
CC(1/2)	0.999	0.999	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Anatrace TOP96 screen, D10: 25 % (w/v) PEG 3350, 200mM Lithium Sulfate, 100mM Bis-Tris: HCl, pH 6.5: RifeA.17987.a.B1.PW38224 at 20mg/ml: soaked for 3.5h with 2.5mM Griselmycin: cryo: 15% EG + soak buffer: tray 21006D10: puck WUA6-4.