3C2K

DNA POLYMERASE BETA with a gapped DNA substrate and DUMPNPP with Manganese 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	2005-09-07
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.790, 80.680, 55.060
Unit cell angles	90.00, 108.38, 90.00

Refinement procedure

Resolution	21.390 - 2.400
R-factor	0.21
Rwork	0.210
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
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	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.081	0.272
Number of reflections	16452
<I/σ(I)>	17.4	3.4
Completeness [%]	99.3	96.9
Redundancy	3.5	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