6ZMZ

UDPG-bound Trehalose transferase from Thermoproteus uzoniensis

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	2019-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976200
Spacegroup name	P 21 21 21
Unit cell lengths	53.045, 69.327, 98.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.771 - 1.900
Rwork	0.185
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo-Tret
RMSD bond length	0.006
RMSD bond angle	1.351
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]	98.900	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	1.337
Rmeas	0.077	1.580
Rpim	0.041	0.836
Number of reflections	29213	1838
<I/σ(I)>	14.6	1.3
Completeness [%]	99.3	98.5
Redundancy	6.5	6.7
CC(1/2)	0.999	0.508

Crystallization Conditions

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