7M87

Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 230 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	98.262, 98.262, 81.935
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.940 - 1.850
R-factor	0.2026
Rwork	0.201
R-free	0.22760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4ecq
RMSD bond length	0.007
RMSD bond angle	1.062
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	1.880
High resolution limit [Å]	1.850	5.010	1.850
Rmerge	0.081	0.021	0.805
Total number of observations	142485
Number of reflections	38284	1983	1872
<I/σ(I)>	9.5
Completeness [%]	99.6	99.7	99
Redundancy	3.7	3.7	3.5

Crystallization Conditions

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