1ESR

CRYSTAL STRUCTURE OF HUMAN MONOCYTE CHEMOTACTIC PROTEIN-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-21
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	61.012, 61.012, 114.926
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.244
Rwork	0.232
R-free	0.32000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dok
RMSD bond length	0.008
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.056 *	0.390 *
Total number of observations	38808 *
Number of reflections	9060 *
<I/σ(I)>	19.7	1.7854
Completeness [%]	99.0 *	97.6 *
Redundancy	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	ammonium sulfate	40 (%)
4	1	reservoir	Tris-HCl	50 (mM)