2FR8

Structure of transhydrogenase (dI.R127A.NAD+)2(dIII.NADP+)1 asymmetric complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	63.130, 70.330, 195.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.300 - 2.600
R-factor	0.25328
Rwork	0.251
R-free	0.30388
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzz
RMSD bond length	0.007
RMSD bond angle	1.163
Data reduction software	XDS
Data scaling software	XDS
Phasing software	EPMR
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.117	0.442
Number of reflections	27222
<I/σ(I)>	11.4	2.2
Completeness [%]	98.5	92.1
Redundancy	4.9	2.8

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