7LPJ

APE1 Mn-bound 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	2020-09-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.171, 60.901, 73.320
Unit cell angles	82.91, 77.58, 86.25

Refinement procedure

Resolution	48.820 - 2.560
R-factor	0.1888
Rwork	0.183
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.010
RMSD bond angle	1.306
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]	50.000	2.610
High resolution limit [Å]	2.560	2.560
Rmeas	0.146
Number of reflections	31441	1184
<I/σ(I)>	12.3
Completeness [%]	99.8	97.7
Redundancy	5.6	4.4
CC(1/2)		0.632

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