5WWN

Crystal structure of Tsr1

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	2015-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	65.374, 116.344, 119.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.458 - 2.805
R-factor	0.2173
Rwork	0.214
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.284
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.160	0.049
Number of reflections	22912
<I/σ(I)>	7.1
Completeness [%]	99.9	98.8	100
Redundancy	7	6.3	7.2
CC(1/2)		0.997	0.333

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M sodium chloride, 0.08M BIS-TRIS pH 5.5, 0.02M BIS-TRIS pH 6.5, 1.6M ammonium sulfate