5CYS

Structure of the enzyme-product complex resulting from TDG action on a GcaC 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	2015-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.28357
Spacegroup name	C 1 2 1
Unit cell lengths	97.887, 53.804, 81.245
Unit cell angles	90.00, 96.07, 90.00

Refinement procedure

Resolution	32.840 - 2.450
R-factor	0.1689
Rwork	0.165
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless (0.5.8)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.840	32.850	2.550
High resolution limit [Å]	2.450	8.820	2.450
Rmerge		0.046
Rpim		0.023	1.630
Total number of observations		1670	8057
Number of reflections	15396
<I/σ(I)>		18.9	0.6
Completeness [%]		98.1	96.9
Redundancy		4.7	4.7
CC(1/2)		0.999	0.338

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