4X0Q

Ternary complex of human DNA polymerase theta C-terminal domain binding ddGTP opposite dCMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 2 21
Unit cell lengths	99.704, 135.392, 159.819
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.927 - 3.900
R-factor	0.2605
Rwork	0.258
R-free	0.31630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xop
RMSD bond length	0.014
RMSD bond angle	1.169
Data reduction software	DENZO
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	3.900
Number of reflections	31372
<I/σ(I)>	12.5
Completeness [%]	85.6
Redundancy	22.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	PEG 2000mme, MPD, potassium chloride, TRIS buffer, glycerol