3RAJ

Crystal structure of human CD38 in complex with the Fab fragment of antibody HB7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-31
Detector	RAYONIX MX-225
Wavelength(s)	0.97908
Spacegroup name	C 2 2 21
Unit cell lengths	59.664, 271.521, 136.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.157 - 3.044
R-factor	0.2084
Rwork	0.205
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yh3
RMSD bond length	0.010
RMSD bond angle	1.355
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_378)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.160
High resolution limit [Å]	3.044	6.570	3.050
Rmerge	0.085	0.044	0.445
Number of reflections	19878
<I/σ(I)>	12.1
Completeness [%]	92.4	99.5	72.5
Redundancy	5.5	5.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	3.6M sodium formate, pH 7.0, vapor diffusion, hanging drop, temperature 298K