3MFI

DNA Polymerase Eta in Complex With a cis-syn Thymidine Dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	C 2 2 21
Unit cell lengths	88.087, 226.962, 85.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.760
R-factor	0.16475
Rwork	0.164
R-free	0.18721
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jih
RMSD bond length	0.011
RMSD bond angle	1.590
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.760	3.790	1.760
Rmerge	0.129	0.096	0.665
Number of reflections	85518
<I/σ(I)>	10.5
Completeness [%]	99.8	99.2	99.6
Redundancy	7.2	7.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	33% PEG 4000, 0.1 M TRIS, 0.2 M Lithium Sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K