5WN2

APE1 exonuclease substrate complex with phosphoglycolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-12
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	71.363, 64.310, 91.144
Unit cell angles	90.00, 110.14, 90.00

Refinement procedure

Resolution	24.684 - 2.288
R-factor	0.1921
Rwork	0.189
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dff
RMSD bond length	0.008
RMSD bond angle	1.126
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	0.093	0.054	0.598
Rmeas	0.105	0.059	0.757
Rpim	0.045	0.023	0.459
Total number of observations	154969
Number of reflections	34821	1827	1724
<I/σ(I)>	11.5
Completeness [%]	99.8	100	99.8
Redundancy	4.5	6.3	2.5
CC(1/2)		0.997	0.775

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