4N88

Crystal structure of Tse3-Tsi3 complex with calcium 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	2013-10-01
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	89.236, 95.317, 160.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.384 - 2.800
R-factor	0.205
Rwork	0.202
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n7s
RMSD bond length	0.009
RMSD bond angle	1.156
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
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Number of reflections	34326
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	293	0.2M Ammonium acetate, 0.01M calcium chloride,0.05M Sodium cacodylate pH 6.5, 10% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K