5VTP

X-ray diffraction data of DNA Polymerase Eta (RAD30) of Saccharomyces cerevisiae with a single magnesium bound in absence of DNA and incoming dNTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-18
Detector	NOIR-1
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	130.681, 130.681, 93.908
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.370 - 2.800
R-factor	0.2223
Rwork	0.221
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jih
RMSD bond length	0.003
RMSD bond angle	0.619
Data reduction software	XDS (November 1, 2016)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.587	56.587	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.047	1.024
Rmeas	0.105	0.051	1.126
Rpim	0.032	0.016	0.343
Total number of observations	245725
Number of reflections	23171
<I/σ(I)>	18.8	11.4	0.8
Completeness [%]	100.0	99.3	100
Redundancy	10.6	9.8	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	20% v/v Glycerin (Additive), 14.4% w/v PEG 8000 (Precipitant), 0.08 M NaCac 6.5 pH (Buffer), 0.16 M Ca(OAc)2 (Salt)