4DC1

Crystal Structure of Y202F Actinorhodin Polyketide Ketoreductase with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	104.202, 104.202, 123.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.373 - 2.820
R-factor	0.1896
Rwork	0.187
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.178
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.820
Number of reflections	18227

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	0.1 M Bis-Tris Propane, 2.6 M ammonium sulfate, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K