1PJQ

Structure and function of CysG, the multifunctional methyltransferase/dehydrogenase/ferrochelatase for 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	2000-03-10
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	60.734, 121.493, 130.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.210
R-factor	0.235
Rwork	0.235
R-free	0.27500 *
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.950 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.260
High resolution limit [Å]	2.210	2.210
Rmerge	0.057 *	0.453 *
Number of reflections	48472 *
<I/σ(I)>	23	3
Completeness [%]	99.5	97.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5 *	293	PEG200, acetate, sodium chloride, 2-mercaptoethanol, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	25 (mg/ml)
2	1	reservoir	PEG200	30 (%(v/v))
3	1	reservoir	sodium acetate	200 (mM)	pH4.5
4	1	reservoir		200 (mM)
5	1	reservoir	beta-mercaptoethanol	1 (%(v/v))