4F5O

Open ternary complex of R283K DNA polymerase beta with a one metal bound dCTP analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-03
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	54.480, 78.923, 55.134
Unit cell angles	90.00, 106.61, 90.00

Refinement procedure

Resolution	22.572 - 2.000
R-factor	0.2096
Rwork	0.203
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.008
RMSD bond angle	1.057
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.000	2.710	2.070
High resolution limit [Å]	2.000	2.520	2.000
Rmerge	0.056	0.117	0.379
Number of reflections	151838
<I/σ(I)>		14.29	2.8
Completeness [%]	99.6	99.9	98.1
Redundancy	5.7	5.8	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	50mM Imidazole, 350mM Sodium Acetate, 19% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K