5DFI

Human APE1 phosphorothioate substrate complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-07
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	44.418, 60.828, 73.212
Unit cell angles	83.00, 80.53, 89.12

Refinement procedure

Resolution	30.190 - 1.630
R-factor	0.168
Rwork	0.167
R-free	0.19500
RMSD bond length	0.011
RMSD bond angle	1.299
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.630
Rmerge	0.084
<I/σ(I)>	15.72
Completeness [%]	98.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	10% PEG20000, 100 mM sodium citrate, 200 mM MgCl