1OQB

The Crystal Structure of the one-iron form of the di-iron center in Stearoyl Acyl Carrier Protein Desaturase from Ricinus Communis (Castor Bean).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2000-09-29
Detector	MARRESEARCH
Wavelength(s)	0.8423
Spacegroup name	P 21 21 21
Unit cell lengths	81.908, 145.791, 192.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.22477
Rwork	0.224
R-free	0.24800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.058 *	0.252 *
Number of reflections	45472
<I/σ(I)>	12.1
Completeness [%]	79.3	32

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4 *	293	8-12% Peg8000, 50mM Potassium Dihydrogen Phosphate and 20% Glycerol as cryoprotectant, pH 4, 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 (%)