6P81

Structure of DNA polymerase III, beta subunit/ beta sliding clamp from Klebsiella pneumoniae, expressed with an N-terminal His-Smt3 fusion tag, in complex with Griselimycin

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	2019-05-30
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	71.020, 83.100, 188.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.014 - 1.750
R-factor	0.1858
Rwork	0.185
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3dlg and
RMSD bond length	0.006
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.014	47.014	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.057	0.045	0.616
Rmeas	0.062	0.049	0.663
Total number of observations	417678
Number of reflections	56497	699	4119
<I/σ(I)>	18	35.9	3.14
Completeness [%]	99.9	97.1	100
Redundancy	7.393	6.117	7.422
CC(1/2)	0.999	0.996	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	290	Microlytic MCSG-2, condition D4: 30% (V/V) PEG 300, 200mM Calcium acetate, 100mM sodium acetate / acetic acid pH 4.5: KlpnA.17987.a.EN11.PD383542 at 20.95mg/ml + 2mM griselimycin: tray 309729 D4: cryo: direct: puck ECJ6-1.