6PTV

Crystal structure of a DnaN sliding clamp (DNA polymerase III subunit beta) from Rickettsia rickettsii 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 1
Unit cell lengths	77.210, 82.790, 82.860
Unit cell angles	109.38, 89.94, 106.53

Refinement procedure

Resolution	45.900 - 1.850
R-factor	0.1692
Rwork	0.169
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dlk
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]	45.900	45.900	1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.062	0.052	0.348
Rmeas	0.071	0.061	0.412
Total number of observations	600700
Number of reflections	153460	1720	10623
<I/σ(I)>	13.18	23.35	3.29
Completeness [%]	97.3	97.2	91.4
Redundancy	3.914	3.734	3.547
CC(1/2)	0.997	0.994	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	RiriA.17987.a.B1.PS38222 at 20 mg/mL with 2 mM griselimycin against Morpheus screen condition G12 12.5% PEG 1000, 12.5% PEG 3350, 12.5% MPD, 0.03 M NPS, 0.1 M bicine/Trizma pH 8.5, crystal tracking ID 308710c12, unique puck ID zni8-8