1DB5

HUMAN S-PLA2 IN COMPLEX WITH INDOLE 6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-11-03
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 61 2 2
Unit cell lengths	76.360, 76.360, 91.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.172 *
Rwork	0.196
R-free	0.24000
RMSD bond length	0.018 *
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.850
High resolution limit [Å]	2.200 *	2.800
Rmerge	0.090 *	0.274
Number of reflections	4159
<I/σ(I)>	14.2	3.3
Completeness [%]	70.0 *	99.5
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	297	10 mg/ml of protein; 50 mM buffer (MES or MOPS), 1% pyridine., pH 7.0, VAPOR DIFFUSION, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	MES	50 (mM)	or MOPS
3	1	drop	sodium chloride	80-92 (%sat)
4	1	drop	pyridine	1 (%)