4O9P

Crystal structure of Thermus thermophilis transhydrogeanse domain II dimer SeMet derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97919
Spacegroup name	C 1 2 1
Unit cell lengths	126.566, 86.870, 99.161
Unit cell angles	90.00, 94.91, 90.00

Refinement procedure

Resolution	97.930 - 2.890
R-factor	0.22483
Rwork	0.222
R-free	0.28783
Structure solution method	SIRAS
RMSD bond length	0.012
RMSD bond angle	1.898
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.930	97.900
High resolution limit [Å]	2.890	2.890
Number of reflections	21446
Completeness [%]	94.2	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	lipidic subic phase	8.5	298	100 mM Tris pH 8.5, 350 mM NH4-formate, 100mM Na-thiocynate, and 18% (v/v) 1-4-butanediol, lipidic subic phase, temperature 298K