2FSV

Structure of transhydrogenase (dI.D135N.NAD+)2(dIII.E155W.NADP+)1 asymmetric complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	72.912, 73.871, 205.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.370 - 2.300
R-factor	0.2039
Rwork	0.202
R-free	0.24808
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzz
RMSD bond length	0.007
RMSD bond angle	1.184
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.400	2.420
High resolution limit [Å]	2.300	2.300
Number of reflections	50105
<I/σ(I)>	5.7
Completeness [%]	100.0	100
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	16-20% 8K-PEG, 20-150 mM (NH4)2SO4,100 mM Mes pH 6.0 and 10% glycerol in the presence of 50 mM NAD+ and 5 mM NADP+, VAPOR DIFFUSION, SITTING DROP, temperature 277K