1KYQ

Met8p: A bifunctional NAD-dependent dehydrogenase and ferrochelatase involved in siroheme synthesis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-03-30
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	156.988, 80.856, 103.975
Unit cell angles	90.00, 121.88, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.221 *
Rwork	0.219
R-free	0.28700 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	2.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.280
High resolution limit [Å]	2.200 *	2.200
Rmerge	0.070 *	0.304
Total number of observations	117894 *
Number of reflections	56148 *
<I/σ(I)>	15.7	2.9
Completeness [%]	98.0 *	85.6 *
Redundancy	6.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, CaCl2, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	NAD	2.5 (mM)
3	1	reservoir	PEG4000	16-18 (%)
4	1	reservoir		0.1 (M)
5	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
6	1	reservoir	dithiothreitol	2 (mM)