6DLY

Crystal structure of DNA polymerase III subunit beta from Mycobacterium marinum in complex with a natural product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	80.090, 76.760, 80.790
Unit cell angles	90.00, 117.53, 90.00

Refinement procedure

Resolution	41.714 - 2.100
R-factor	0.1784
Rwork	0.176
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p16
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3126)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.714	41.714	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.062	0.015	0.425
Rmeas	0.072	0.018	0.501
Total number of observations	185699
Number of reflections	49331	586	3393
<I/σ(I)>	16.5	64.2	3.18
Completeness [%]	96.8	95.4	91
Redundancy	3.764	3.451	3.443
CC(1/2)	0.999	1.000	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	MymaA.17987.a.B1_BSI108087.PS38239 at 22.4 mg/mL mixed 0.4 uL protein/0.4 uL precipitant containing TOP96 well D11 { 0.1 M Sodium Acetate: HCl, pH 4.6 8 % (w/v) PEG 4000} and harvested with 25% EG. Tray 292393, puck hmh20170605-2