1HN4

PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2000-05-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	37.488, 54.852, 56.896
Unit cell angles	90.00, 104.06, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.215 *
Rwork	0.215
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB Code 1P2P Phospholipase A2
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.560
High resolution limit [Å]	1.500	1.500
Rmerge	0.030	0.191
Number of reflections	32685
<I/σ(I)>	40.6
Completeness [%]	91.0	86.3
Redundancy	7.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	25 *	25% PEG 3350, 0.2 M ammonium sulfate, 0.1 M sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop		10 (mM)
3	1	drop	MJ33	3 (mM)
4	1	drop	ammonium sulfate	0.2 (M)
5	1	drop	sodium acetate	0.1 (M)	pH4.6
6	1	reservoir	xylitol	35 (%sat)