6TVE

Unliganded human CD73 (5'-nucleotidase) in the open state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 21 21 2
Unit cell lengths	67.316, 131.380, 66.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.840 - 1.050
R-factor	0.1184
Rwork	0.118
R-free	0.13270
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2h2g
RMSD bond length	0.006
RMSD bond angle	0.998
Data reduction software	XDS (2015)
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.840	1.090
High resolution limit [Å]	1.050	1.050
Rmeas	0.055	0.858
Number of reflections	267271	12510
<I/σ(I)>	15.9	1.9
Completeness [%]	98.5	94
Redundancy	6.56	5.93
CC(1/2)	0.999	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	100 mM Tris pH 7.8, PEG6000, 100 mM Gly-Pro, 10 % DMSO. The Gly-Pro dipeptide was added as part of fragment screening experiment but did not bind to the protein.