5EPT

Crystal Structure of S. cerevisiae TSA2 in the disulfide state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-16
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8729
Spacegroup name	P 21 21 21
Unit cell lengths	83.460, 167.210, 221.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.351 - 5.000
R-factor	0.284
Rwork	0.274
R-free	0.37480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dvb
RMSD bond length	0.007
RMSD bond angle	1.129
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.400	46.400	4.240
High resolution limit [Å]	5.000	17.970	4.120
Rmerge	0.129
Total number of observations	13476
Number of reflections	13476	340	93
<I/σ(I)>	13.98
Completeness [%]	50.6	93.9	4.9
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291.15	6% (w/v) PEG20K, 0.2 M MgCl2, 0.1M NaCitrate