6SA1

Post catalytic complex of Prim-PolC from Mycobacterium smegmatis with gapped DNA and 3'-dUTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 4 21 2
Unit cell lengths	198.250, 198.250, 85.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.660 - 2.010
R-factor	0.1855
Rwork	0.184
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5op0
RMSD bond length	0.009
RMSD bond angle	1.016
Data reduction software	DIALS (1.7.3)
Data scaling software	xia2 (0.5.438)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.120	99.250	2.040
High resolution limit [Å]	2.010	5.460	2.010
Rmerge	0.047
Rmeas	0.051	0.022	1.423
Rpim	0.020	0.009	0.594
Total number of observations		36427	31207
Number of reflections	112811	6049	5562
<I/σ(I)>	20	66.6	1.2
Completeness [%]	100.0	100	100
Redundancy	6.4	6	5.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285	50mM Sodium cacodylate, 2M Ammonium sulphate, 10mM Manganese Chloride