1U31

recombinant human heart transhydrogenase dIII bound with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 41 2 2
Unit cell lengths	57.814, 57.814, 250.934
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.700 - 2.200
R-factor	0.23164
Rwork	0.230
R-free	0.26841
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1djl
RMSD bond length	0.006
RMSD bond angle	0.966
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	63.000
High resolution limit [Å]	2.200
Number of reflections	19463
Completeness [%]	82.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	ammonium sulphate, MES, dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K