4M6X

Mutant structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-homocysteine and methylphenylpyruvic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	57.009, 90.219, 136.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.940 - 2.300
R-factor	0.16494
Rwork	0.162
R-free	0.22745
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kib
RMSD bond length	0.010
RMSD bond angle	1.415
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (MR)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	30264
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16% PEG3350, 0.2M sodium iodine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K