8RXF

Crystal structure of S-SAD phased 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	2016-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	2.07505
Spacegroup name	P 43 21 2
Unit cell lengths	67.054, 67.054, 183.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.960 - 2.270
R-factor	0.189
Rwork	0.187
R-free	0.22860
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.830
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	HKL2Map
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.540	2.390
High resolution limit [Å]	2.270	2.270
Rmerge	0.129	1.534
Rmeas	0.129	1.546
Rpim	0.010	0.181
Number of reflections	20302	2883
<I/σ(I)>	50.6	3.1
Completeness [%]	99.9
Redundancy	171.5
CC(1/2)	1.000	0.913

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	100 mM Tris/HCl pH 8.5, 250 mM Li2SO4, and 23% PEG 3350