4N80

Crystal structure of Tse3-Tsi3 complex

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	2012-06-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97910
Spacegroup name	P 41 21 2
Unit cell lengths	91.064, 91.064, 169.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.978 - 2.400
R-factor	0.1892
Rwork	0.186
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m5f
RMSD bond length	0.008
RMSD bond angle	1.055
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	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	28753
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	0.4M magnesium formate, 0.1M sodium acetate pH4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K