3THM

Crystal structure of Fas receptor extracellular domain in complex with Fab EP6b_B01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2009-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	94.510, 94.510, 139.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.255 - 2.100
R-factor	0.1851
Rwork	0.183
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tje
RMSD bond length	0.006
RMSD bond angle	1.007
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.255		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.104	0.048	0.637
Number of reflections	42586
<I/σ(I)>	16.04	38.71	4.13
Completeness [%]	100.0	98.7	100
Redundancy	10	8.6	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	20% PEG4000, 10% isopropanol, 100 mM HEPES/NaOH, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K