4TN8

Crystal structure of Thermus Thermophilus thioredoxin solved by sulfur SAD using Swiss Light Source data

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	2.066
Spacegroup name	P 43 21 2
Unit cell lengths	58.500, 58.500, 59.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.862 - 2.150
R-factor	0.2315
Rwork	0.226
R-free	0.28140
RMSD bond length	0.003
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.150
Rmerge	0.047
Number of reflections	10426
<I/σ(I)>	40.45
Completeness [%]	95.5
Redundancy	38.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	291	0.1 M HEPES buffer containing 4.3M NaCl, pH 7.3