6PTH

Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Pseudomonas aeruginosa bound to 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	2018-07-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 64 2 2
Unit cell lengths	139.650, 139.650, 173.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.711 - 3.050
R-factor	0.1934
Rwork	0.190
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tsz
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.16_3546: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.711	45.711	3.130
High resolution limit [Å]	3.050	13.640	3.050
Rmerge	0.061	0.026	0.608
Rmeas	0.066	0.029	0.648
Total number of observations	157945
Number of reflections	19666	266	1415
<I/σ(I)>	21.4	43.72	2.87
Completeness [%]	99.8	91.7	100
Redundancy	8.031	5.741	8.334
CC(1/2)	0.999	0.999	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	293	PsaeA.17987.a.EN11.PD38369 at 20.74 mg/mL with 0.8 mM griselimycin against MCSG screen condition A5 optimization screening 0.1 M sodium acetate pH 4.2, 1.4 M ammonium sulfate, 0.2 M sodium chloride, supplemented with 25% ethylene glycol as cryo-protectant; crystal tracking ID 310486b9, unique puck ID bbz4-5