7M8D

Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 300 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	2020-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.422, 98.422, 81.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.970 - 1.920
R-factor	0.1667
Rwork	0.163
R-free	0.21710
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.006
RMSD bond angle	0.883
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]	35.000	35.000	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.084	0.024	0.694
Total number of observations	128624
Number of reflections	34317	1737	1709
<I/σ(I)>	9.6
Completeness [%]	99.7	97.9	99.9
Redundancy	3.7	3.8	3.6

Crystallization Conditions

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