4F5P

Open ternary mismatch complex of R283K DNA polymerase beta with a dATP 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	2011-09-25
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	54.380, 79.240, 54.880
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	22.109 - 1.850
R-factor	0.2071
Rwork	0.203
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3isb
RMSD bond length	0.010
RMSD bond angle	1.231
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	2.510	1.920
High resolution limit [Å]	1.850	2.330	1.850
Rmerge	0.049	0.108	0.367
Number of reflections	185280
<I/σ(I)>		15.13	2.34
Completeness [%]	99.7	100	97.2
Redundancy	4.9	5.2	2.2

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