9TZG

X-ray structure of the C-terminal domain (residues 366-485) of S. pombe threonylcarbamoyladenosine dehydratase at 1.55 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	32.480, 55.170, 68.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.890 - 1.550
R-factor	0.2009
Rwork	0.200
R-free	0.22260
Structure solution method	AB INITIO PHASING
RMSD bond length	0.011
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000	1.650
High resolution limit [Å]	1.550	1.550
Number of reflections	17625	2945
<I/σ(I)>	7.8
Completeness [%]	95.7
Redundancy	6.5
CC(1/2)	0.996	0.537

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293.15	0.2 M NaCl, 0.1 M citrate pH 5.5, 1 M (NH4)2HPO4, final pH 7.6