7M86

Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 140 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	98.156, 98.156, 82.511
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.940 - 1.550
R-factor	0.1756
Rwork	0.173
R-free	0.20460
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	1.061
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	1.580
High resolution limit [Å]	1.550	4.200	1.550
Rmerge	0.071	0.017	0.681
Total number of observations	245920
Number of reflections	65468	3353	3240
<I/σ(I)>	9.5
Completeness [%]	99.8	99.4	99.4
Redundancy	3.8	3.7	3.7

Crystallization Conditions

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