1PSR

HUMAN PSORIASIN (S100A7)

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	46.805, 61.631, 62.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 * - 1.050
R-factor	0.1049 *
R-free	0.14120
Structure solution method	MULTI-WAVELENGTH ANOMALOUS DISPERSION
RMSD bond length	0.030
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.500	1.070
High resolution limit [Å]	1.050	1.050
Rmerge	0.043 *	0.101 *
Total number of observations	700858 *
Number of reflections	84591 *
<I/σ(I)>	28.7	4.7
Completeness [%]	97.9	84.1
Redundancy	1.8	1.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5		pH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.6 (mg/ml)
2	1	reservoir	PEGmmes 2000	20-30 (%(w/v))
3	1	reservoir	ammonium sulfate	50-300 (mM)
4	1	reservoir	HEPES	100 (mM)