1J1A

PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-05
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 31
Unit cell lengths	75.110, 75.110, 50.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.560 - 2.200
R-factor	0.227
Rwork	0.227
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1poe
RMSD bond length	0.015
RMSD bond angle	22.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.560	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	36081
<I/σ(I)>	15.75	2.63
Completeness [%]	91.4	60
Redundancy	2.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	20 *	Sodium Chloride, Calcium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	THAM	0.1 (M)	pH7.4