3MR2

Human DNA polymerase eta in complex with normal DNA and incoming nucleotide (Nrm)

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	2009-10-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	98.458, 98.458, 82.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.280 - 1.830
R-factor	0.174
Rwork	0.174
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.280	1.880
High resolution limit [Å]	1.830	1.830
Number of reflections	39746
<I/σ(I)>	17.9	3.2
Completeness [%]	98.9	90.6
Redundancy	4.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M MES, 5 mM MgCl2, 6-21% (w/v) PEG 2K-MME, streak/micro seeding , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MES
2	1	1	MgCl2
3	1	1	PEG 2K-MME
4	1	2	MES
5	1	2	MgCl2
6	1	2	PEG 2K-MME