4QH9

Crystal structure of Mn2+ bound human APE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-29
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	46.638, 140.490, 45.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 2.175
R-factor	0.1991
Rwork	0.196
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.977
Data reduction software	PROTEUM PLUS (PLUS)
Data scaling software	PROTEUM PLUS (PLUS)
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	2.220
High resolution limit [Å]	2.175	2.175
Completeness [%]	99.4	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1M MES, 0.2M Sodium Chloride, 19% PEG 3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K