9SEB

Crystal Structure of human exonuclease 1 (Exo1) with DNA and compound 20

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 43 21 2
Unit cell lengths	69.836, 69.836, 181.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.190 - 1.900
R-factor	0.2392
Rwork	0.236
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.350
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.190	2.081
High resolution limit [Å]	1.898	1.898
Number of reflections	24543	1228
<I/σ(I)>	21.2
Completeness [%]	95.2
Redundancy	25.7
CC(1/2)	0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG 3350, 0.2 M sodium formate