4J16

Crystal structure of Thermus thermophilus transhydrogenase heterotrimeric complex of the Alpha1 subunit dimer with the NADP binding domain (domain III) of the Beta subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.18076
Spacegroup name	P 21 21 21
Unit cell lengths	67.616, 75.038, 198.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.980 - 2.410
R-factor	0.20331
Rwork	0.201
R-free	0.25328
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 4IZH 1pno
RMSD bond length	0.007
RMSD bond angle	1.106
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.980	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.036	0.557
Number of reflections	36638
<I/σ(I)>	18.4	1.4
Completeness [%]	96.3	79.1
Redundancy	3.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Molecular Dimensions MD1-47 Morpheus kit, condition E2: 0.12 M ethylene glycols, 0.1 M pH 6.5 buffers, 30% ethylene glycol + PEG8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K