5F1O

human CD38 in complex with nanobody MU551

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	2012-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	33.141, 96.190, 143.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.1713
Rwork	0.168
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yh3
RMSD bond length	0.009
RMSD bond angle	1.305
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.074	0.045	0.461
Total number of observations	182459
Number of reflections	24162
<I/σ(I)>	13.4
Completeness [%]	99.2	96.6	100
Redundancy	7.6	7.2	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2M sodium acetate, 0.1M Tris-HCl, 25% PEG4000