3GIK

Dpo4 extension ternary complex with the oxoG(anti)-C(anti) pair

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)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	99.855, 112.399, 52.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.234
Rwork	0.232
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gii
RMSD bond length	0.009
RMSD bond angle	1.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.960
High resolution limit [Å]	2.870	2.870
Rmerge	0.089	0.656
Number of reflections	12594
<I/σ(I)>	15.9	1.8
Completeness [%]	94.9	84.1
Redundancy	4.7

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