6CR5

Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH2-beta, gamma dATP analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	50.603, 78.909, 55.528
Unit cell angles	90.00, 107.16, 90.00

Refinement procedure

Resolution	31.660 - 1.982
R-factor	0.1827
Rwork	0.178
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fms
RMSD bond length	0.009
RMSD bond angle	1.089
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.074	0.036	0.352
Total number of observations	72086
Number of reflections	22149	1495	379
<I/σ(I)>	9.6
Completeness [%]	76.4	99.6	26.3
Redundancy	3.3	3.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	16-18% PEG 3350