6MKM

Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-25
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.07109
Spacegroup name	P 21 21 2
Unit cell lengths	46.552, 136.601, 45.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.626 - 1.673
R-factor	0.2069
Rwork	0.205
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.934
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.670	4.530	1.670
Rmerge	0.077	0.053	0.384
Total number of observations	138760
Number of reflections	32466	1819	1307
<I/σ(I)>	12.7
Completeness [%]	95.3	96.3	79.4
Redundancy	4.3	4.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, pH 6.0, 200 mM sodium chloride, 18-21% PEG4000