6SA0

Ternary complex of Prim-PolC from Mycobacterium smegmatis with 2nt gapped DNA and UpNHpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 31 2 1
Unit cell lengths	136.059, 136.059, 133.479
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.071 - 2.209
R-factor	0.1761
Rwork	0.174
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5op0
RMSD bond length	0.013
RMSD bond angle	1.309
Data reduction software	DIALS (1.5.0)
Data scaling software	xia2 (0.5.270)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.830	118.000	2.250
High resolution limit [Å]	2.208	5.990	2.210
Rmerge	0.102
Rmeas	0.111	0.056	1.538
Rpim	0.043	0.023	0.595
Total number of observations		22917	22801
Number of reflections	71872	3815	3518
<I/σ(I)>	8.5	18.2	1.5
Completeness [%]	100.0	100	99
Redundancy	6.4	6	6.5
CC(1/2)	0.996

Crystallization Conditions

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