1MHP

Crystal structure of a chimeric alpha1 integrin I-domain in complex with the Fab fragment of a humanized neutralizing antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	P 65
Unit cell lengths	255.090, 255.090, 38.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 * - 2.800
R-factor	0.222
Rwork	0.213
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.430 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000 *	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.083	0.309
Number of reflections	35275
<I/σ(I)>	11.92	2.29
Completeness [%]	96.6	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4	20 *	PEG 1500, Tris, NaCl, beta-mercaptoethanol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop	Tris	20 (mM)	pH7.4
3	1	drop		150 (mM)
4	1	drop		1 (mM)
5	1	drop	beta-mercaptoethanol	5 (mM)
6	1	reservoir	PEG1500	20-30 (%(w/v))