6BOU

Human APE1 substrate complex with an T/C 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	2016-06-12
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.303, 60.909, 73.314
Unit cell angles	83.35, 78.50, 87.34

Refinement procedure

Resolution	24.539 - 2.538
R-factor	0.213
Rwork	0.208
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.006
RMSD bond angle	0.976
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	2.590
High resolution limit [Å]	2.538	6.880	2.550
Rmerge	0.106	0.041	0.494
Rmeas	0.130	0.050	0.613
Rpim	0.074	0.029	0.358
Number of reflections	43274	1216	1221
<I/σ(I)>	7.8
Completeness [%]	99.8	100	99.8
Redundancy	2.9	2.6	2.7
CC(1/2)		0.996	0.800

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