4RNN

Crystal structure of human polymerase eta inserting dGMPnPP opposite DNA template containing an abasic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 61
Unit cell lengths	98.556, 98.556, 81.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.676 - 1.808
R-factor	0.1697
Rwork	0.168
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o3n
RMSD bond length	0.008
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((MR))
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.360	1.840
High resolution limit [Å]	1.808	2.280	1.810
Rmerge	0.083	0.122	0.626
Number of reflections	41328
<I/σ(I)>	21.161	17.147	2.941
Completeness [%]	100.0	100	100
Redundancy	7.2	7.4	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	0.1 M MES pH 5.5, 5mM magnesium chloride, 25% PEG 2000 MME , VAPOR DIFFUSION, HANGING DROP, temperature 291.0K