6BOR

Human APE1 substrate complex with an G/G mismatch adjacent the THF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.408, 60.204, 73.014
Unit cell angles	82.94, 80.29, 89.10

Refinement procedure

Resolution	24.811 - 1.840
R-factor	0.1715
Rwork	0.170
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.015
RMSD bond angle	1.448
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.880
High resolution limit [Å]	1.840	5.010	1.850
Rmerge	0.083	0.054	0.505
Rmeas	0.094	0.059	0.661
Rpim	0.043	0.025	0.422
Number of reflections	115113	3183	3123
<I/σ(I)>	11.7
Completeness [%]	99.4	100	97
Redundancy	4.2	5.6	2.2
CC(1/2)		0.996	0.099

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	7% PEG 20K, 100mM sodium Citrate, 15% glycerol, 5mM CaCl2