5DMI

Structure of the extracellular domain of the CD40 in complex with CHI220 FAB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-29
Detector	RAYONIX MX-225
Wavelength(s)	0.97949
Spacegroup name	P 42 21 2
Unit cell lengths	201.152, 201.152, 63.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.640 - 3.690
R-factor	0.1702
Rwork	0.168
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CD40 ENSEMBLE FROM 1JMA 2uwi 2aw2 1ncf 1tnr 2hev 2HEY; VL FROM 3D85; VH FROM 2ZPK; CL:CH1 FROM 2O5X
RMSD bond length	0.010
RMSD bond angle	1.390
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	201.150	3.890
High resolution limit [Å]	3.690	3.690
Rmerge		0.495
Number of reflections	14668
<I/σ(I)>	13.2	6.8
Completeness [%]	100.0	100
Redundancy	15.9	16.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	80mM sodiym acetate, pH 4.6, 1.6 M ammonium sulfate, 20% (v/v) glycerol