6QJ6

The structure of Trehalose-6-phosphatase from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	75.926, 83.843, 84.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.683 - 1.740
R-factor	0.1931
Rwork	0.191
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.679
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	Auto-Rickshaw
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.683	1.946
High resolution limit [Å]	1.740	1.740
Rmerge		1.776
Number of reflections	35129	1757
<I/σ(I)>	11.4	1.7
Completeness [%]	94.6	69
Redundancy	13	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	condition G1 from the Morpheus Screen (Molecular Dimensions)