4F5Q

Closed ternary complex of R283K DNA polymerase beta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-02
Detector	RIGAKU SATURN 92
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	55.139, 77.629, 54.953
Unit cell angles	90.00, 114.20, 90.00

Refinement procedure

Resolution	21.105 - 2.250
R-factor	0.2206
Rwork	0.214
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.008
RMSD bond angle	0.981
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	3.050	2.330
High resolution limit [Å]	2.250	2.830	2.250
Rmerge	0.098	0.154	0.599
Number of reflections	112322
<I/σ(I)>		11.6	2.38
Completeness [%]	98.2	100	99
Redundancy	5.7	6.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	50mM Imidazole, 350mM Sodium Acetate, 18% PEG3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K