5DIJ

The crystal structure of CT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	I 4 2 2
Unit cell lengths	109.587, 109.587, 210.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.265 - 2.700
R-factor	0.2075
Rwork	0.204
R-free	0.26150
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.216
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge		0.660
Number of reflections	18005
<I/σ(I)>	40.3	8.2
Completeness [%]	99.8	100
Redundancy	27	29

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	isopropanal, PEG 4000