1UO9

Deacetoxycephalosporin C synthase complexed with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-02-15
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	106.800, 106.800, 70.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.900 - 1.500
R-factor	0.174
Rwork	0.173
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rxf
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.049	0.280
Total number of observations	108054 *
Number of reflections	45627
<I/σ(I)>		3.2
Completeness [%]	95.5	94.2
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		Valegard, K., (1998) Nature, 394, 805. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.75 (M)
2	1	1	2-oxoglutarate	5 (mM)
3	1	1	HEPES	0.1 (M)