8D0M

Human CD38 ectodomain bound to a 78c-ADPR adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	C 2 2 21
Unit cell lengths	63.612, 129.018, 81.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.630 - 2.040
R-factor	0.1965
Rwork	0.194
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d0j
RMSD bond length	0.007
RMSD bond angle	0.851
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	2.100
High resolution limit [Å]	2.040	2.040
Rmerge	0.094	1.255
Rmeas	0.101	1.355
Rpim	0.038	0.509
Number of reflections	21620	2112
<I/σ(I)>	19.1	2.3
Completeness [%]	99.3
Redundancy	13.2
CC(1/2)	0.999	0.667

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	100 mM Bis-Tris pH 5.5, 100 mM Ammonium sulfate, and 15% polyethylene glycol 3350