9V6D

Human Ecto-5'-nucleotidase (CD73) in complex with LB10

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	89.160, 116.300, 118.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.670 - 2.320
R-factor	0.1961
Rwork	0.194
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.670	2.400
High resolution limit [Å]	2.320	2.320
Number of reflections	53968	5313
<I/σ(I)>	10.32
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.996	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium acetate trihydrate pH 4.5 25% w/v Polyethylene glycol 3,350