6PTR

Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Bartonella birtlesii 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	2019-05-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	91.950, 93.130, 110.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.925 - 1.750
R-factor	0.1785
Rwork	0.178
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6deg
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]	42.925	42.925	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.050	0.033	0.472
Rmeas	0.055	0.037	0.514
Total number of observations	593906
Number of reflections	94773	1196	6833
<I/σ(I)>	20.87	42.77	3.93
Completeness [%]	98.3	97.2	97.3
Redundancy	6.267	5.271	6.368
CC(1/2)	0.999	0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	BabiA.17987.a.B1.PS38344 at 13.7 mg/mL with 2 mM griselimycin against PACT screen condition F3 0.2 M sodium iodide, 20% PEG 3350, 0.1 M BisTris Propane pH 6.5, supplemented with 20% EG as cryo-protectant, crystal tracking ID 309696f3, unique puck ID zzf8-8