1PJS

The co-crystal structure of CysG, the multifunctional methyltransferase/dehydrogenase/ferrochelatase for siroheme synthesis, in complex with it NAD cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	60.124, 120.686, 130.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.400
Rwork	0.239
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pjq
RMSD bond length	0.009
RMSD bond angle	1.910 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.079 *	0.415 *
Number of reflections	36207
<I/σ(I)>	14.3	2.8
Completeness [%]	97.0 *	95.5 *
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5 *	293	PEG400, phosphate/citrate, sodium chloride, 2-mercaptoethanol, NAD, pH 5.0, 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))