3OFJ

Crystal structure of N-methyltransferase NodS from Bradyrhizobium japonicum WM9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.8086
Spacegroup name	P 43 2 2
Unit cell lengths	48.700, 48.700, 141.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.430
R-factor	0.2127
Rwork	0.203
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NodS from NodS-SAH complex (3OFK)
RMSD bond length	0.018
RMSD bond angle	1.843
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.510
High resolution limit [Å]	2.420	2.420
Rmerge	0.087	0.440
Number of reflections	6954
<I/σ(I)>	16.7	2.1
Completeness [%]	99.6	97.3
Redundancy	6.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	292	28% PEG 3350, 0.1 M magnesium chloride, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 292K