4KIG

Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic 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	2013-03-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	59.485, 81.145, 137.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.880 - 2.400
R-factor	0.17221
Rwork	0.168
R-free	0.24816
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kib
RMSD bond length	0.012
RMSD bond angle	1.542
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	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	23694
Completeness [%]	93.5	96

Crystallization Conditions

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