3SI8

Human DNA polymerase eta - DNA ternary complex with the 5'T of a CPD in the active site (TT2)

Replaces:  3MR4

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
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	61.236, 80.259, 139.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.280 - 2.150
R-factor	0.241
Rwork	0.241
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mr2
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.086	0.593
Number of reflections	37705
<I/σ(I)>	12.43
Completeness [%]	98.7	97.1
Redundancy	8.4	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M MES, 5 mM MgCl2, 19-21% (w/v) PEG 2K-MME, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K