4IRZ

Crystal structure of A4b7 headpiece complexed with Fab Natalizumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	73.610, 77.890, 217.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.619 - 2.840
R-factor	0.2392
Rwork	0.237
R-free	0.28750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.600
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	12.700
High resolution limit [Å]	2.840
Number of reflections	30297
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	6%PEG2000,0.1M Bicine pH9.0, 5%dioxane, 300mM NDSB-195, VAPOR DIFFUSION, HANGING DROP, temperature 277K