6BOQ

Human APE1 substrate complex with an A/A 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	2016-07-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.296, 60.946, 73.293
Unit cell angles	83.44, 78.29, 87.53

Refinement procedure

Resolution	24.584 - 1.960
R-factor	0.219
Rwork	0.217
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.011
RMSD bond angle	1.226
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	2.000
High resolution limit [Å]	1.960	5.330	1.970
Rmerge	0.065	0.037	0.479
Rmeas	0.072	0.040	0.604
Rpim	0.031	0.016	0.362
Number of reflections	95288	2663	2601
<I/σ(I)>	15.7
Completeness [%]	99.2	100	97.8
Redundancy	4.3	6.5	2.4
CC(1/2)		0.999	0.583

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