1Y1P

X-ray structure of aldehyde reductase with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-21
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	55.000, 83.391, 148.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.160 - 1.600
R-factor	0.217
Rwork	0.217
R-free	0.23900
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.160	1.700
High resolution limit [Å]	1.600	1.600
Number of reflections	84533
Completeness [%]	93.1	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	32% (w/v) polyethylene glycol 2000 MME, 100mM ammonium sulfate and 200mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5	293	32% (w/v) polyethylene glycol 2000 MME, 100mM ammonium sulfate and 200mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K