1I9R

STRUCTURE OF CD40L IN COMPLEX WITH THE FAB FRAGMENT OF HUMANIZED 5C8 ANTIBODY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-11-11
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	224.480, 129.910, 96.490
Unit cell angles	90.00, 109.60, 90.00

Refinement procedure

Resolution	35.000 - 3.100
R-factor	0.233
Rwork	0.233
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aly
RMSD bond length	0.014
RMSD bond angle	1.890
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.076	0.188
Number of reflections	46508
<I/σ(I)>	7.52	1.97
Completeness [%]	96.1	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	20% PEG MME 550, 0.1 M MES, 0.01 M zinc sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	reservoir	PEG550 MME	20 (%(w/v))
3	1	reservoir	MES	0.1 (M)	pH6.5
4	1	reservoir	zinc sulfate	0.01 (M)