6PE8

Crystal structure of CD40/ABBV-323 FAB complex

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	2014-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	173.308, 75.959, 126.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.980 - 2.840
R-factor	0.2081
Rwork	0.205
R-free	0.26530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pe7
RMSD bond length	0.010
RMSD bond angle	1.125
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]	173.200	2.850
High resolution limit [Å]	2.840	2.840
Number of reflections	40335	380
<I/σ(I)>	15.8
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		296.15	2M ammonium sulfate, 0.1M phosphate-citrate pH 4.2