6RCZ

The structure of Burkholderia pseudomallei trehalose-6-phosphatase

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	2018-10-08
Detector	DECTRIS EIGER X 16M
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	0.22860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.654
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MoRDa
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	0.161	0.178
Rmeas	0.161	1.859
Rpim	0.046	0.538
Number of reflections	35129	1757
<I/σ(I)>	11.4	1.7
Completeness [%]	94.6	69
Redundancy	13	10.9
CC(1/2)	0.998	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	condition G1 (0.1 M Buffer System 1 (imidazole and MES monohydrate) pH 6.5, 50 % (v/v) Precipitant Mix 1 (40 % (w/v) PEG500, 20% (w/v) PEG20K)) from the Morpheus Screen (Molecular Dimensions)