6BOV

Human APE1 substrate complex with an A/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	2016-04-07
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.358, 60.371, 73.343
Unit cell angles	83.56, 78.43, 88.30

Refinement procedure

Resolution	24.771 - 1.975
R-factor	0.2122
Rwork	0.211
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.011
RMSD bond angle	1.176
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	2.010
High resolution limit [Å]	1.975	5.360	1.980
Rmerge	0.071	0.047	0.473
Rmeas	0.078	0.051	0.597
Rpim	0.033	0.020	0.359
Number of reflections	98881	2594	2652
<I/σ(I)>	16
Completeness [%]	100.0	100	99.8
Redundancy	4.3	6.2	2.5
CC(1/2)		0.998	0.801

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