5OMQ

Ternary complex of 9N DNA polymerase in the replicative state with three metal ions in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.999975
Spacegroup name	P 21 21 21
Unit cell lengths	66.793, 93.678, 158.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.839 - 2.199
R-factor	0.1959
Rwork	0.193
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8x
RMSD bond length	0.008
RMSD bond angle	0.934
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12rc0_2787: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.839	2.330
High resolution limit [Å]	2.199	2.199
Rmeas	0.108	1.549
Number of reflections	97025	15527
<I/σ(I)>	8.62	0.92
Completeness [%]	99.6	98.8
Redundancy	3.5	3.5
CC(1/2)	0.998	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M sodium acetate trihydrate pH 4.5, 6% isopropanol, 36% PEG 550 MME