6MKO

Crystallographic solvent mapping analysis of glycerol bound to APE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-27
Detector	APEX II CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	46.492, 137.815, 45.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.217 - 2.090
R-factor	0.1786
Rwork	0.176
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.810
Data reduction software	SAINT
Data scaling software	SAINT (2014/2 for Windows)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.220	2.190
High resolution limit [Å]	2.090	2.090
Rmerge	0.077	0.212
Number of reflections	17920
<I/σ(I)>	12.63	3.91
Completeness [%]	99.0
Redundancy	3.68

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