3C2M

Ternary complex of DNA POLYMERASE BETA with a G:dAPCPP mismatch in the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-02
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.750, 78.370, 55.170
Unit cell angles	90.00, 113.36, 90.00

Refinement procedure

Resolution	22.350 - 2.150
R-factor	0.214
Rwork	0.214
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fmp
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.069	0.344
Number of reflections	22971
<I/σ(I)>		3
Completeness [%]	98.3	95.6
Redundancy	3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	50 mM Imidazole pH 7.5, 350 mM Sodium Acetate, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Imidazole pH 7.5, Sodium Acetate, PEG 3350
2	1	2	50 mM Imidazole pH 7.5, 350 mM Sodium Acetate, 18% PEG 3350