1NA5

INTEGRIN ALPHA M I DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	38.370, 50.930, 102.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.209
Rwork	0.209
R-free	0.22700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jlm
RMSD bond length	0.004 *
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.560
High resolution limit [Å]	1.500	1.500
Rmerge	0.025 *	0.222 *
Total number of observations	125137 *
Number of reflections	35988 *
Completeness [%]	98.4	92.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	23 *	PEG 8000, sodium chloride, potassium citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		100 (mM)
2	1	drop		5 (mM)
3	1	drop	Tris	20 (mM)	pH8.0
4	1	drop	protein	10 (mg/ml)
5	1	reservoir		0.2 (M)
6	1	reservoir	PEG8000	20 (%)
7	1	reservoir	potassium citrate	0.1 (M)	pH4.2