4N7S

Crystal structure of Tse3-Tsi3 complex with Zinc ion

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	2012-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 21 21 21
Unit cell lengths	86.196, 93.254, 171.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.803 - 2.101
R-factor	0.1971
Rwork	0.196
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.013
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	81250
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.2M zinc acetate, 0.1M sodium acetate pH4.5, 10% PEG3000, VAPOR DIFFUSION, HANGING DROP, temperature 293K