6YU3

Crystal structure of MhsT in complex with L-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96860
Spacegroup name	P 1 2 1
Unit cell lengths	44.280, 49.890, 110.050
Unit cell angles	90.00, 96.76, 90.00

Refinement procedure

Resolution	45.384 - 2.250
R-factor	0.2252
Rwork	0.224
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4us3
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	2.320
High resolution limit [Å]	2.250	2.250
Number of reflections	22564	2236
<I/σ(I)>	7.3
Completeness [%]	98.2
Redundancy	2.9
CC(1/2)	0.989	0.488

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, 0.1M Tris-HCl or HEPES-NaOH pH 7.0, 5% Trimethylamine N-oxide (TMANO), 5% or 10% glycerol.