5DKT

N-terminal His tagged apPOL exonuclease mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 65 2 2
Unit cell lengths	141.775, 141.775, 148.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.346 - 2.900
R-factor	0.2682
Rwork	0.265
R-free	0.29950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2kfn
RMSD bond length	0.003
RMSD bond angle	0.549
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.345	0.112
Rmeas	0.339	0.125
Rpim	0.195	0.055	0.668
Total number of observations	82305
Number of reflections	19706
<I/σ(I)>	2.5
Completeness [%]	97.8	96.7	96.4
Redundancy	4.2	4.8	3.4
CC(1/2)		0.990	0.018

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 30%(w/v) PEG monomethyl ether 5000