4J9Q

Human DNA polymerase eta-DNA postinsertion binary complex with TG mispair

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	95
Detector technology	CCD
Collection date	2010-01-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.390, 98.390, 81.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.403 - 1.960
R-factor	0.1969
Rwork	0.194
R-free	0.23670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mr2
RMSD bond length	0.008
RMSD bond angle	1.179
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.260	2.010
High resolution limit [Å]	1.960	2.190	1.960
Rmerge	0.063	0.347	0.825
Number of reflections	31697
<I/σ(I)>	17.76	4.88	2.08
Completeness [%]	98.0	98.3	97.5
Redundancy	3.2	3.29	3.29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG2K-MME, KCl, MES, pH 6.5, vapor diffusion, hanging drop, temperature 298K