7M85

Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 80 s

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	2012-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.362, 98.362, 81.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.950 - 1.750
R-factor	0.1769
Rwork	0.174
R-free	0.21230
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	1.052
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]	30.000	30.000	1.780
High resolution limit [Å]	1.750	4.740	1.750
Rmerge	0.073	0.025	0.771
Total number of observations	163049
Number of reflections	43465	2107	2072
<I/σ(I)>	10.5
Completeness [%]	96.1	90.4	92.5
Redundancy	3.8	4.3	3.3

Crystallization Conditions

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