1OQ9

The Crystal Structure of the Complex between Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean) and Acetate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	110
Detector technology	CCD
Collection date	2001-06-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.987
Spacegroup name	P 31 1 2
Unit cell lengths	94.110, 94.110, 81.783
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.21812
Rwork	0.216
R-free	0.26400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	253.000 *	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.043 *	0.283 *
Number of reflections	16245
<I/σ(I)>	13.5	2.8
Completeness [%]	99.4	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4 *	293	12-15% Peg4000, 80mM Cacodylate, 200mM Magnesium Acetate, 75mM Ammonium Sulphate, 0.2% Octyl glucoside, 20% Glycerol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium azide	70 (mM)
2	1	reservoir	cacodylate	0.08 (M)	pH5.4
3	1	reservoir	magnesium acetate	200 (mM)
4	1	reservoir	ammonium sulfate	75 (mM)
5	1	reservoir	octyl-glucoside	0.2 (%)
6	1	reservoir	PEG4000	12-15 (%)