1MC2

monomeric LYS-49 phospholipase A2 homologue purified from AG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90
Spacegroup name	C 1 2 1
Unit cell lengths	44.732, 59.086, 45.308
Unit cell angles	90.00, 117.43, 90.00

Refinement procedure

Resolution	20.000 * - 0.800 *
R-factor	0.0949
R-free	0.12100
Structure solution method	AB INITIO
RMSD bond length	0.019
RMSD bond angle	1.179 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	0.830
High resolution limit [Å]	0.800 *	0.800
Rmerge	0.055 *	0.367 *
Total number of observations	384478 *
Number of reflections	84242 *
<I/σ(I)>		0.332
Completeness [%]	76.6 *	34.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	Huang, Q.Q., (2000) Acta Crystallogr., D56, 907. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	2-propanol	20 (%(v/v))
2	1	reservoir	PEG4000	20 (%(w/v))
3	1	reservoir	sodium citrate	0.1 (M)	pH5.6
4	1	drop	protein	20-30 (mg/ml)
5	1	drop	PEG4000	18 (%(w/v))