7M89

Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 0 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	2013-10-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	99.144, 99.144, 82.014
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.450 - 1.830
R-factor	0.1754
Rwork	0.172
R-free	0.21330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	0.903
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]	40.000	40.000	1.860
High resolution limit [Å]	1.830	4.960	1.830
Rmerge	0.079	0.023	0.662
Total number of observations	126881
Number of reflections	39793	1901	2003
<I/σ(I)>	9.5
Completeness [%]	98.7	91.4	99.7
Redundancy	3.2	3.4	3.2

Crystallization Conditions

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