1MK9

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	2002-05-05
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	50.257, 141.763, 59.597
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	30.000 * - 2.800
R-factor	0.242
Rwork	0.242
R-free	0.32400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mix
RMSD bond length	0.010
RMSD bond angle	1.610 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4 ((MOLREP))
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.830	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.090 *	0.307 *
Total number of observations	57904 *
Number of reflections	18904
<I/σ(I)>	13	4
Completeness [%]	91.8	94.5
Redundancy	3.11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	4 *	PEG 8000, MAGNESIUM CHLORIDE, TRIS-HCL, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13.5 (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)	pH8.6
6	1	reservoir		0.2 (M)
7	1	reservoir	PEG8000	18-20 (%)