1UOF

Deacetoxycephalosporin C synthase complexed with Penicillin G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-11-15
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	106.500, 106.500, 72.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.800 - 1.600
R-factor	0.197
Rwork	0.196
R-free	0.23100
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]	32.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.134
Total number of observations	207167 *
Number of reflections	39909
Completeness [%]	99.2	100
Redundancy	3.5	3.2

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)