7Y7T

QDE-1 in complex with 12nt DNA template, ATP and 3'-dGTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97928
Spacegroup name	P 1
Unit cell lengths	81.505, 85.790, 101.280
Unit cell angles	102.38, 103.41, 94.13

Refinement procedure

Resolution	29.940 - 2.500
R-factor	0.2228
Rwork	0.221
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j7n
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.120	0.084	0.450
Rmeas	0.130	0.090	0.526
Rpim	0.050	0.033	0.266
Total number of observations	427186
Number of reflections	78997	8332	6251
<I/σ(I)>	8.2
Completeness [%]	89.0	93.9	70.3
Redundancy	5.4	7.3	2.9
CC(1/2)		0.994	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	291	peg4000, 200 mM KCl