7DHA

crystal structure of CD38 in complex with daratumumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-11
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 1 2 1
Unit cell lengths	80.240, 54.160, 92.690
Unit cell angles	90.00, 98.88, 90.00

Refinement procedure

Resolution	29.090 - 2.550
R-factor	0.2112
Rwork	0.207
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cmh
RMSD bond length	0.004
RMSD bond angle	0.703
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.610
High resolution limit [Å]	2.550	2.550
Number of reflections	25496	2511
<I/σ(I)>	13.4
Completeness [%]	98.0
Redundancy	3.5
CC(1/2)	0.998	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.2 M Lithium sulfate 0.1 M Bis-Tris 25% PEG3350