1IJ9

Highly Hydrated Human VCAM-1 Fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-12-11
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	152.939, 152.939, 45.976
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.000 - 3.000
R-factor	0.208
Rwork	0.208
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vca
RMSD bond length	0.006
RMSD bond angle	28.713 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.115	0.596
Total number of observations	183518 *
Number of reflections	12530 *	622 *
<I/σ(I)>	19.59	5.14
Completeness [%]	99.9	100
Redundancy	9.44	9.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Hepes, Tris, Ammonium Sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	50 (mM)
3	1	reservoir	Tris	50 (mM)
4	1	reservoir	ammonium sulfate	42 (%(v/v)sat)