1MK7

CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-05-04
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	48.290, 114.900, 45.749
Unit cell angles	90.00, 98.18, 90.00

Refinement procedure

Resolution	30.000 * - 2.200
R-factor	0.205
Rwork	0.205
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mix
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.890	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.051 *	0.199 *
Total number of observations	68410 *
Number of reflections	21774
<I/σ(I)>	23.8	5.1
Completeness [%]	87.0	48.7
Redundancy	3.21

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	0.1 M TRIS-HCL, 18% (W/V) PEG-MME 2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12.5 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.0
3	1	drop		150 (mM)
4	1	drop	dithiothreitol	2 (mM)
5	1	reservoir	Tris-HCl	0.1 (M)	pH7.0
6	1	reservoir	PEG2000 MME	12 (%(w/w))