3VXG

Crystal structure of conjugated polyketone reductase C2 from Candida Parapsilosis

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	2008-11-08
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	55.020, 68.300, 68.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.000 - 1.700
R-factor	0.189
Rwork	0.187
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vp5
RMSD bond length	0.013
RMSD bond angle	1.351
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.700
Rmerge	0.044
Number of reflections	29200
<I/σ(I)>	28.91
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	293	23% PEG 3350, 0.1M TRIS-HCL, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K