5L3K

Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a ternary complex with ADP and fructose-6-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92818
Spacegroup name	P 62
Unit cell lengths	216.960, 216.960, 159.835
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	121.744 - 2.305
R-factor	0.1573
Rwork	0.153
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jij
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	159.840	159.840	2.430
High resolution limit [Å]	2.305	7.290	2.310
Rmerge	0.288	0.120	1.231
Number of reflections	187701
<I/σ(I)>	7
Completeness [%]	100.0	99.7	100
Redundancy	10.3	9.8	9.8
CC(1/2)	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	1M Ammonium Phosphate Dibasic, 0.1M Tris