1BQS

THE CRYSTAL STRUCTURE OF MUCOSAL ADDRESSIN CELL ADHESION MOLECULE-1 (MADCAM-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-02-10
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	65.760, 101.100, 70.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.223
Rwork	0.223
R-free	0.28000
Structure solution method	MIR
RMSD bond length	0.012
RMSD bond angle	2.087
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.236
Total number of observations	87803 *
Number of reflections	11229
<I/σ(I)>	22.3	6.4
Completeness [%]	92.2	96.1
Redundancy	7.8	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			PROTEIN SOLUTION:17 MG/ML. CRYSTALLIZATION SOLUTION: 10% PEG 400, 0.5M LI2SO4, PH 7.5-8.0., VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	10 (%)
2	1	reservoir		0.5 (M)