9SXI

HUMAN CD38 ECTODOMAIN BOUND TO CVN14-ADPR ADDUCT

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99989
Spacegroup name	P 21 21 21
Unit cell lengths	51.130, 65.180, 73.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.230 - 1.740
R-factor	0.209
Rwork	0.208
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.920
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	BUSTER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.230	1.860
High resolution limit [Å]	1.740	1.740
Rmerge	0.089	0.993
Rpim	0.045	0.474
Number of reflections	18619	18619
<I/σ(I)>	10.1	1.6
Completeness [%]	72.3	20.5
Redundancy	4.8	5.1
CC(1/2)	0.998	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	0.1 M bicine/NaOH pH 9.0, 20% w/v PEG 6000