4XEG

Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97948
Spacegroup name	C 1 2 1
Unit cell lengths	89.199, 53.393, 82.220
Unit cell angles	90.00, 95.42, 90.00

Refinement procedure

Resolution	39.140 - 1.720
R-factor	0.1904
Rwork	0.188
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnc
RMSD bond length	0.017
RMSD bond angle	1.897
Data reduction software	XDS (0.1.26)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.140	39.140	1.750
High resolution limit [Å]	1.720	9.090	1.720
Rmerge	0.038	0.016	0.918
Rpim	0.016	0.007	0.491
Total number of observations	266180	1943	5027
Number of reflections	40036
<I/σ(I)>	23.8	101	1.4
Completeness [%]	97.2	97.8	62.1
Redundancy	6.6	6.6	3.8
CC(1/2)	1.000	1.000	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	20% (w/v) PEG 4000, 0.2 M ammonium acetate, 0.1 M sodium acetate, pH 6.0