6PE9

Crystal Structure of CD40 complexed to FAB516

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	254.840, 224.035, 111.358
Unit cell angles	90.00, 98.00, 90.00

Refinement procedure

Resolution	35.338 - 3.130
R-factor	0.2182
Rwork	0.216
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pe8
RMSD bond length	0.010
RMSD bond angle	1.134
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	167.500	3.140
High resolution limit [Å]	3.130	3.130
Number of reflections	108254	1044
<I/σ(I)>	11.2
Completeness [%]	99.4
Redundancy	3.4
CC(1/2)	0.990	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296.15	1.6M Ammonium Sulfate 2% w/v PEG1000, 100 mM HEPES Sodium Salt pH 7.5