4Z47

Structure of the enzyme-product complex resulting from TDG action on a GU mismatch in the presence of excess base

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-15
Detector	PSI PILATUS 6M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	89.305, 53.322, 82.297
Unit cell angles	90.00, 95.31, 90.00

Refinement procedure

Resolution	45.730 - 1.450
R-factor	0.1428
Rwork	0.140
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fnc
RMSD bond length	0.023
RMSD bond angle	2.274
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.730	45.730	1.470
High resolution limit [Å]	1.450	7.940	1.450
Rmerge	0.068	0.067
Rpim	0.020	0.018	0.722
Total number of observations	760039	6311	33013
Number of reflections	64847
<I/σ(I)>	15.9	51.4	1.2
Completeness [%]	94.9	99.6	89.8
Redundancy	11.7	13.8	11
CC(1/2)	0.999	0.995	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	30% PEG 4000, 0.2M ammonium acetate, 0.1M sodium acetate