4J9M

Human DNA polymerase eta-DNA ternary complex: misincorporation G opposite T after an A at the primer 3' end (AA/G)

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	98.430, 98.430, 82.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.550 - 2.250
R-factor	0.1834
Rwork	0.180
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mr2
RMSD bond length	0.005
RMSD bond angle	0.917
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.600	2.310
High resolution limit [Å]	2.250	2.520	2.250
Rmerge	0.098	0.397	0.678
Number of reflections	21434
<I/σ(I)>	14.5	4.82	3.04
Completeness [%]	99.7	99.9	99.7
Redundancy	4.4	4.43	4.42

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