4D79

Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97948, 1.99976
Spacegroup name	P 1 21 1
Unit cell lengths	65.690, 97.160, 83.190
Unit cell angles	90.00, 111.61, 90.00

Refinement procedure

Resolution	41.128 - 1.768
R-factor	0.1437
Rwork	0.142
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jwa
RMSD bond length	0.018
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.230	1.770
High resolution limit [Å]	1.770	1.770
Rmerge	0.080	0.580
Number of reflections	89893
<I/σ(I)>	19	3.8
Completeness [%]	96.1	38.8
Redundancy	3.5	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1