3V7K

Co-crystal structure of K72E variant of rat polymerase beta: Enzyme-DNA binary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.04
Spacegroup name	P 21 21 21
Unit cell lengths	56.464, 75.508, 117.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.300 - 2.271
R-factor	0.2298
Rwork	0.225
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.273
Data reduction software	HKL-2000
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.300	2.328
High resolution limit [Å]	2.271	2.271
Number of reflections	23840
<I/σ(I)>	38.1	1.627
Completeness [%]	91.5	72.7
Redundancy	8.8	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	296	PEG 3350, NaCl, Glycerol, Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K