5M4A

Neutral trehalase Nth1 from Saccharomyces cerevisiae in complex with trehalose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918
Spacegroup name	P 62 2 2
Unit cell lengths	185.769, 185.769, 118.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.878 - 2.900
R-factor	0.2349
Rwork	0.234
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Preliminary model from SAD
RMSD bond length	0.010
RMSD bond angle	0.835
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX ((1.10.1_2155-000))
Refinement software	PHENIX ((1.10.1_2155-000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.880	3.070
High resolution limit [Å]	2.900	2.900
Rmerge	0.203	2.315
Number of reflections	27347
<I/σ(I)>	14.39	1.14
Completeness [%]	99.8	99.3
Redundancy	10.87
CC(1/2)	0.997	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	291.15	Sodium Citrate, Ammonium Sulfate, Lithium Sulfate, Trehalose