3IV9

Structure of the B12-dependent Methionine Synthase (MetH) C-teminal half in a "His-On" conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-02
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	107.550, 107.550, 144.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 3.250
R-factor	0.282
Rwork	0.282
R-free	0.32100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Individual domains of PDB entry 3BUL
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (AutoMR)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.440
High resolution limit [Å]	3.250	3.250
Rmerge	0.092	0.604
Number of reflections	13890
<I/σ(I)>	19.44	3.17
Completeness [%]	99.9	99.9
Redundancy	9.5	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	302	0.2 M potassium nitrate, 20 % (w/v) PEG3350, 50 mM HEPES pH 7.5, VAPOR DIFFUSION, temperature 302K