3PSR

HUMAN PSORIASIN (S100A7) CA2+ BOUND FORM (CRYSTAL FORM I)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	52.150, 56.670, 76.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.500
R-factor	0.224 *
R-free	0.29300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1psr
RMSD bond length	0.004
RMSD bond angle	0.015
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.122 *	0.544 *
Number of reflections	8199
<I/σ(I)>	5.4	1.4
Completeness [%]	99.3	99.3
Redundancy	5.4	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.7	20 *	pH 7.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	5.5 (mg/ml)
2	1	1	PEG4000	22 (%(w/v))
3	1	1	glycerol	5-10 (%(v/v))
4	1	1		5-10 (mM)