3C2L

Ternary complex of DNA POLYMERASE BETA with a C: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	2007-03-27
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.470, 78.280, 54.890
Unit cell angles	90.00, 113.18, 90.00

Refinement procedure

Resolution	23.140 - 2.600
R-factor	0.224
Rwork	0.224
R-free	0.30600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fmp
RMSD bond length	0.007
RMSD bond angle	1.300
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	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.096	0.519
Number of reflections	13062
<I/σ(I)>	15.1	2.2
Completeness [%]	99.5	99.4
Redundancy	3.6	3.5

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