5WN1

APE1 exonuclease 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	2016-12-22
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	71.869, 63.528, 90.548
Unit cell angles	90.00, 109.43, 90.00

Refinement procedure

Resolution	24.521 - 2.300
R-factor	0.2161
Rwork	0.213
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.010
RMSD bond angle	1.161
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.340
High resolution limit [Å]	2.300	6.210	2.300
Rmerge	0.110	0.067	0.746
Rmeas	0.124	0.076	0.939
Rpim	0.057	0.035	0.562
Number of reflections	58422	1781	1728
<I/σ(I)>	11
Completeness [%]	99.4	99	99.4
Redundancy	4.2	4.9	2.5
CC(1/2)		0.995	0.757

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	7% PEG20000, 100 mM sodium citrate, 15% glycerol, 5 mM calcium chloride