1ZZE

X-ray Structure of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.919, 83.444, 148.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.880 - 1.800
R-factor	0.193
Rwork	0.193
R-free	0.23300
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.078
Number of reflections	61668
Completeness [%]	96.2	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	32% PEG2000 MME, 100mM ammonium sulfate, 200mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K