5V0E

Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f5I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	72.776, 72.776, 181.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.458 - 2.744
R-factor	0.2073
Rwork	0.204
R-free	0.24670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qea
RMSD bond length	0.004
RMSD bond angle	0.532
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.740	2.740
Rmerge	0.060	0.571
Rmeas	0.067	0.635
Number of reflections	24257	3874
<I/σ(I)>	16.19	2.33
Completeness [%]	99.5	97.6
Redundancy	5.14	5.19
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	100 mM sodium acetate, pH 7.0, 10 mM potassium chloride, 2-4% PEG4000