1NR2

High resolution crystal structures of thymus and activation-regulated chemokine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	90
Detector technology	CCD
Collection date	2002-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	P 41
Unit cell lengths	47.772, 47.772, 58.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.180
Rwork	0.186
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RANTES
RMSD bond length	0.022 *
RMSD bond angle	3.400 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.062	0.194
Number of reflections	6647
<I/σ(I)>	19
Completeness [%]	93.5 *	92.2 *
Redundancy	5.5 *	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	285 *	0.17M ammonium acetate, 0.085M trisodium citrate, 25.5% PEG 4000, 15% w/v glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	ammonium acetate	0.17 (M)
3	1	reservoir	trisodium citrate	0.085 (M)	pH5.6
4	1	reservoir	PEG4000	25.5 (%(w/v))
5	1	reservoir	glycerol	15 (%(v/v))