1L8X

Crystal Structure of Ferrochelatase from the Yeast, Saccharomyces cerevisiae, with Cobalt(II) as the Substrate Ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-11
Detector	MARRESEARCH
Wavelength(s)	0.9678
Spacegroup name	P 21 21 21
Unit cell lengths	84.380, 96.660, 120.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.700
R-factor	0.237
Rwork	0.237
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hrk
RMSD bond length	0.010
RMSD bond angle	22.800 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.900
High resolution limit [Å]	2.700	2.700
Rmerge	0.174 *	0.302
Number of reflections	22973
<I/σ(I)>		22.9
Completeness [%]	90.9	60.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	4 *	PEG2000, 2-propanol, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	0.1 (M)	pH8.0
2	1	drop	glycerol	20 (%(w/v))
3	1	drop	n-octyl-beta-D-glucopyranoside	1 (%(w/v))
4	1	reservoir	Tris-HCl	0.1 (M)	pH7.5
5	1	reservoir	PEG2000	23 (%(w/v))
6	1	reservoir	2-propanol	10 (%(v/v))