3QD6

Crystal structure of the CD40 and CD154 (CD40L) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0050
Spacegroup name	P 65
Unit cell lengths	133.212, 133.212, 211.151
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	114.961 - 3.500
R-factor	0.245
Rwork	0.245
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aly
RMSD bond length	0.010
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (2.1.1)
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	114.961	114.961	3.690
High resolution limit [Å]	3.200	11.070	3.500
Rmerge	0.102	0.046	0.351
Rmeas		0.114	0.506
Rpim		0.072	0.308
Total number of observations		2019	9409
Number of reflections	24906
<I/σ(I)>	8.9	35.1	2.2
Completeness [%]	93.7	82.3	97.6
Redundancy	2.6	2.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	12% PEG6000, 0.1M MOPS, 10% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K