6ISH

Structure of 9N-I DNA polymerase incorporation with 3'-AL 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	2017-02-22
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	I 2 3
Unit cell lengths	207.654, 207.654, 207.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.990 - 3.300
R-factor	0.21867
Rwork	0.215
R-free	0.27881
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8x
RMSD bond length	0.002
RMSD bond angle	1.189
Data reduction software	XDS (November 1, 2016 built20161205)
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]	48.990	3.419
High resolution limit [Å]	3.300	3.301
Rmerge	0.045	0.470
Number of reflections	21653	2203
<I/σ(I)>	6.73
Completeness [%]	96.1
Redundancy	1.9
CC(1/2)	0.991	0.654

Crystallization Conditions

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