1CQ3

STRUCTURE OF A SOLUBLE SECRETED CHEMOKINE INHIBITOR, VCCI, FROM COWPOX VIRUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-05-25
Detector	OTHER
Spacegroup name	C 2 2 21
Unit cell lengths	61.699, 64.423, 245.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.213
Rwork	0.213
R-free	0.24200
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.071	0.157
Number of reflections	40519
<I/σ(I)>	13.3
Completeness [%]	86.7	52.8
Redundancy	4.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	12 *	22% (w/v) PEG8K,10% Glycerol, 50 mM Tris-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10 (mM)
2	1	drop	protein	4 (mg/ml)
3	1	reservoir	PEG8000	20-22 (%(v/v))
4	1	reservoir	glycerol	10 (%(w/v))
5	1	reservoir	Tris-HCl	25 (mM)