7M7U

Human DNA Pol eta S113A with dT-ended primer and dATP: in crystallo reaction for 480s

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	2013-03-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 61
Unit cell lengths	98.215, 98.215, 81.728
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.470 - 1.940
R-factor	0.1821
Rwork	0.179
R-free	0.22190
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	1.039
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	1.980
High resolution limit [Å]	1.940	5.280	1.950
Rmerge	0.080	0.036	0.480
Number of reflections	32974	1684	1604
<I/σ(I)>	11.6
Completeness [%]	99.2	97.9	98
Redundancy	3.3	3.6	2.6

Crystallization Conditions

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