6P93

Human APE1 K98A AP-endonuclease product complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.351, 60.493, 72.620
Unit cell angles	83.72, 79.66, 88.46

Refinement procedure

Resolution	24.966 - 2.100
R-factor	0.1745
Rwork	0.172
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.140
High resolution limit [Å]	2.087	5.680	2.100
Rmerge	0.073	0.035	0.426
Rmeas	0.084	0.040	0.551
Rpim	0.039	0.018	0.344
Number of reflections	58444	2178	2143
<I/σ(I)>	9.9
Completeness [%]	99.8	100	98.2
Redundancy	3.9	4.4	2.1
CC(1/2)		0.998	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% PEG20000, 100 mM sodium citrate, pH 5.0, and 200 mM MgCl2