8RWW

Crystal structure of native alpha-keto C-methyl transferase SgvM bound to ketoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	67.278, 67.278, 182.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.090 - 1.950
R-factor	0.1837
Rwork	0.182
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.090	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.252
Rmeas	0.257
Rpim	0.050
Number of reflections	31639	2168
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	25.8
CC(1/2)	0.999	0.463

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	20% PEG 3350, 250 mM Li2SO4, and 100 mM Tris/HCl pH 8.5