3GIJ

Dpo4 extension ternary complex with oxoG(syn)-A(anti) and oxoG(anti)-A(syn) pairs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97942
Spacegroup name	P 1 21 1
Unit cell lengths	51.264, 107.409, 97.867
Unit cell angles	90.00, 100.54, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.212
Rwork	0.209
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gii
RMSD bond length	0.008
RMSD bond angle	1.601
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.420
High resolution limit [Å]	2.350	2.350
Rmerge	0.064	0.424
Number of reflections	40120
<I/σ(I)>	20.1	1.8
Completeness [%]	92.7	62.4
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	100 mM HEPES, 100 mM Calcium acetate, 10% PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	HEPES
2	1	2	Calcium acetate
3	1	3	PEG 4000