5V0D

Crystal structure of human exonuclease 1 Exo1 (WT) in complex with 5' flap DNA (f2II)

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	2016-02-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	72.976, 72.976, 180.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.980 - 2.630
R-factor	0.208
Rwork	0.205
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qea
RMSD bond length	0.002
RMSD bond angle	0.509
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.630	2.630
Rmerge	0.054	0.593
Rmeas	0.060	0.661
Number of reflections	27368	4490
<I/σ(I)>	16.08	2.17
Completeness [%]	98.9	99.7
Redundancy	4.73	4.72
CC(1/2)	0.999	0.820

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