7M7R

Human DNA Pol eta S113A with rA-ended primer and dAMPNPP

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	2012-06-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.648, 98.648, 81.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.370 - 1.810
R-factor	0.1859
Rwork	0.183
R-free	0.22090
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.008
RMSD bond angle	1.137
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.810	4.910	1.810
Rmerge	0.091	0.025	0.544
Total number of observations	123361
Number of reflections	40306	1991	1909
<I/σ(I)>	9.5
Completeness [%]	97.6	93.4	93.8
Redundancy	3.1	3.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	295	15% PEG 2000 MME, 100 mM MES