6ISI

Structure of 9N-I DNA polymerase incorporation with 3'-CL in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	298
Detector technology	CCD
Collection date	2017-06-22
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	205.204, 205.204, 205.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.240 - 3.200
R-factor	0.23492
Rwork	0.232
R-free	0.29019
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8x
RMSD bond length	0.004
RMSD bond angle	1.274
Data reduction software	XDS (November 1, 2016 built 20161205)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.240	3.314
High resolution limit [Å]	3.200	3.200
Rmerge	0.024	0.410
Number of reflections	23807	2372
<I/σ(I)>	9.12
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.990	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Sodium Acetate pH4.6, MPD, Glycerol, CaCl2