1W4Z

Structure of actinorhodin polyketide (actIII) Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-20
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	103.430, 103.430, 122.823
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.185
Rwork	0.183
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1edo
RMSD bond length	0.014
RMSD bond angle	1.715
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	30.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.070	0.450
Number of reflections	25371
<I/σ(I)>	20	3.9
Completeness [%]	99.8	100
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				MOTHER LIQUOR 5 MG ML-1 PROTEIN AND 5 MM NADP IN 25 MM PHOSPHATE BUFFER PH 8 WITH 10%(V/V) GLYCEROL RESERVOIR SOLUTION 4.0-4.4 M SODIUM FORMATE