6UPB

Structure of apo trehalose-6-phosphate phosphatase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	45.988, 52.447, 105.555
Unit cell angles	90.00, 98.45, 90.00

Refinement procedure

Resolution	104.400 - 1.890
R-factor	0.188
Rwork	0.187
R-free	0.21520
Structure solution method	MAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.400	1.958
High resolution limit [Å]	1.890	1.890
Rmerge	0.109	0.653
Number of reflections	39938	3940
<I/σ(I)>	14.9	3.36
Completeness [%]	99.6	99.6
Redundancy	8.4	8.1
CC(1/2)	0.998	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	Drop contained: 1.5 uL 40 mg/mL protein, 2 uL reservoir solution (15% PEG 3350, 350 mM lithium citrate), 2 uL water, and 0.5 uL 1:10^5 dilution of seed stock prepared according to Seed Bead protocol. Crystals were cryoprotected in a solution containing 15% PEG 3350, 350mM lithium citrate, and 10% ethylene glycol