6FIU

Human cytosolic 5'-nucleotidase II soaked with 10mM 2-(6-([1,1'-Biphenyl]-3-carboxamido)-9H-purin-9-yl)acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	90.690, 128.180, 129.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.769 - 2.500
R-factor	0.1787
Rwork	0.176
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.700
High resolution limit [Å]	2.500	2.500
Number of reflections	24058
<I/σ(I)>	12.6
Completeness [%]	90.0
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	MGSO4, TRIS AND LIGAND, pH 8.5