6ZJH

Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose

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	60.433, 68.387, 110.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.188 - 2.100
Rwork	0.200
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo-Tret
RMSD bond length	0.004
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	110.750	110.750	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.074	0.026	1.576
Rmeas	0.088	0.031	1.889
Rpim	0.048	0.016	1.029
Number of reflections	27421	433	2199
<I/σ(I)>	11.8
Completeness [%]	99.7
Redundancy	6.2	5.1	6
CC(1/2)	0.999	0.999	0.500

Crystallization Conditions

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