6YU2

Crystal structure of MhsT in complex with L-isoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001
Spacegroup name	P 1 21 1
Unit cell lengths	43.950, 97.290, 110.940
Unit cell angles	90.00, 96.14, 90.00

Refinement procedure

Resolution	43.698 - 3.100
R-factor	0.2783
Rwork	0.277
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4us3
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.195
Number of reflections	13856	2557
<I/σ(I)>	3.6
Completeness [%]	81.6
Redundancy	2.7
CC(1/2)	0.989	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	Crystallized using HiLiDe with DOPC as added lipid. Crystals were obtained in 14-24% PEG400, 0.3-0.5M NaCl, 0.1 M Tris-HCl or HEPES-NaOH pH 7.0, 5% Trimethylamine N-oxide (TMANO), 5% or 10% glycerol.