5GVX

Structural insight into dephosphorylation by Trehalose 6-phosphate Phosphatase (OtsB2) from Mycobacterium Tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	41.669, 89.069, 105.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.755 - 2.596
R-factor	0.2167
Rwork	0.212
R-free	0.25760
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.005
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.596
Number of reflections	12692
<I/σ(I)>	17.3
Completeness [%]	99.8
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20mMsodiumacetate trihydrate, pH 4.6, 50 mM CaCl2, 5% 2-propanol, 160 mM ammonium formate,16% polyethylene glycol 3350