6ZJ7

Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976300
Spacegroup name	P 21 21 21
Unit cell lengths	60.574, 69.277, 110.451
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.757 - 2.150
Rwork	0.199
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-TreT
RMSD bond length	0.005
RMSD bond angle	1.299
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	110.450	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.070	0.024
Rmeas	0.081	0.028
Rpim	0.039	0.013
Number of reflections	25646	2477
<I/σ(I)>	17.1
Completeness [%]	98.8
Redundancy	7.8	8.1
CC(1/2)	0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	292	Bis-Tris Propane, PEG 3350, potassium thiocyanate, PEG 400