1DB4

HUMAN S-PLA2 IN COMPLEX WITH INDOLE 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1994-01-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 61 2 2
Unit cell lengths	77.012, 77.012, 91.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.226
Rwork	0.226
R-free	0.25600
RMSD bond length	0.009
RMSD bond angle	24.330 *
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	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.286
<I/σ(I)>	20.4	3.9
Completeness [%]	95.6	94.2
Redundancy	3.4	3.4

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 (%)