3ZO9

The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-21
Detector	DECTRIS PILATUS
Spacegroup name	I 41
Unit cell lengths	127.550, 127.550, 217.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.918 - 1.840
R-factor	0.1638
Rwork	0.163
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ze0
RMSD bond length	0.007
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.060	0.520
Number of reflections	139127
<I/σ(I)>	14.4	3.05
Completeness [%]	93.0	96.4
Redundancy	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M SODIUM CACODYLATE BUFFER PH 6.5, 0.2 M MGCL2, 10% PEG 1000