4DL4

Human DNA polymerase eta inserting dCMPNPP opposite the 3'G of cisplatin crosslinked Gs (Pt-GG1).

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	2010-10-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	99.210, 99.210, 82.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.196
Rwork	0.194
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mr2
RMSD bond length	0.004
RMSD bond angle	0.997
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.060
High resolution limit [Å]	2.000	8.990	2.000
Rmerge	0.136	0.033	0.501
Number of reflections	30558
<I/σ(I)>	11.33	22.45	4.62
Completeness [%]	99.7	93.4	97.4
Redundancy	4.5	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	MES, MgCl2, PEG 2K-MME, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K