6W4T

APE1 Y269A phosphorothioate substrate complex with abasic DNA

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	CMOS
Collection date	2019-11-05
Detector	RDI CMOS_8M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	45.659, 148.315, 153.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.290 - 2.770
R-factor	0.224
Rwork	0.221
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.018
RMSD bond angle	1.432
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	2.920
High resolution limit [Å]	2.770	2.770
Rmeas	0.261	2.670
Number of reflections	27446	3910
<I/σ(I)>	7.4
Completeness [%]	100.0	100
Redundancy	6.8	6.8
CC(1/2)		0.395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	27% PEG 3350, 100 mM Bis Tris Propane (pH 6.5), 200 mM Sodium Fluoride