1N28

Crystal structure of the H48Q mutant of human group IIA phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	C 1 2 1
Unit cell lengths	119.580, 34.420, 73.900
Unit cell angles	90.00, 126.56, 90.00

Refinement procedure

Resolution	20.000 - 1.500
Rwork	0.184
R-free	0.27320 *
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.089 *
Total number of observations	161166 *
Number of reflections	37032 *
Completeness [%]	83.6 *	79.1
Redundancy	2.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4	4 *	NaCl, CaCl2, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Ca2+	5 (mM)
3	1	drop	Tris-HCl	0.1 (M)	pH7.4
4	1	drop		5.3 (M)
5	1	drop	octyl-beta-glucoside	0.5 (mM)
6	1	reservoir	PEG550 MME