6YU4

Crystal structure of MhsT in complex with L-4F-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.96858
Spacegroup name	P 1 2 1
Unit cell lengths	44.150, 49.850, 109.730
Unit cell angles	90.00, 96.08, 90.00

Refinement procedure

Resolution	39.313 - 2.260
R-factor	0.2247
Rwork	0.223
R-free	0.26090
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]	43.900	2.330
High resolution limit [Å]	2.260	2.260
Number of reflections	20720	2067
<I/σ(I)>	5.3
Completeness [%]	92.9
Redundancy	2.3
CC(1/2)	0.991	0.472

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.