7LPI

APE1 phosphorothioate substrate complex with abasic ribonucleotide DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-01
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.227, 60.883, 73.208
Unit cell angles	83.64, 77.97, 87.12

Refinement procedure

Resolution	24.460 - 2.050
R-factor	0.1991
Rwork	0.197
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.012
RMSD bond angle	1.248
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.17.1_3660)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.090
High resolution limit [Å]	2.050	2.050
Rmeas	0.106
Number of reflections	57272	2236
<I/σ(I)>	12.3
Completeness [%]	99.2	95.3
Redundancy	3.9	3.6
CC(1/2)		0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	50 mM tri-Sodium Citrate (pH 4), 100 mM NaCl, 10% Peg 6,000