7M83

Human DNA Pol eta S113A with dA-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	2012-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.295, 98.295, 81.831
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.810 - 1.550
R-factor	0.1774
Rwork	0.175
R-free	0.20820
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.008
RMSD bond angle	1.143
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.580
High resolution limit [Å]	1.550	4.200	1.550
Rmerge	0.056	0.025	0.582
Total number of observations	203083
Number of reflections	62912	3318	3058
<I/σ(I)>	15
Completeness [%]	96.6	99	93.3
Redundancy	3.2	3.7	2.6

Crystallization Conditions

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