9DDR

Ternary substrate complex of DNA polymerase iota with DNA (template A), Ca2+, and dTTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-29
Detector	NOIR-1
Wavelength(s)	1
Spacegroup name	P 65 2 2
Unit cell lengths	97.556, 97.556, 202.148
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.420 - 2.150
R-factor	0.2389
Rwork	0.237
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.797
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.420	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.015	0.287
Rmeas	0.022
Rpim	0.015
Number of reflections	31750	3105
<I/σ(I)>	31.1
Completeness [%]	99.9	99.94
Redundancy	2
CC(1/2)	1.000	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	100 mM HEPES pH 7 1.5-1.8 M Ammonium Sulfate 5 mM EDTA