1F2L

CRYSTAL STRUCTURE OF CHEMOKINE DOMAIN OF FRACTALKINE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02-25
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	110.473, 110.473, 123.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.2375
Rwork	0.238
R-free	0.32120
Structure solution method	MULTIWAVELENGTH ANOMALOUS DIFFRACTION USING SELENOMETHIONINE (SELENIUM) AS ANOMALOUS SCATTERER
RMSD bond length	0.012 *
RMSD bond angle	1.927 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.039	0.491
Total number of observations	345321 *
Number of reflections	30366
<I/σ(I)>	61.5
Completeness [%]	98.8	98.4
Redundancy	11.4	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	3 *	298	sodium formate, disodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	Vapor diffusion *	3 *	298	sodium formate, disodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	Vapor diffusion *	3 *	298	sodium formate, disodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	Vapor diffusion *	3 *	298	sodium formate, disodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	reservoir	sodium formate	4 (M)
3	1	reservoir	disodium citrate	100 (mM)
4	1	reservoir	water		0.010ml