1UOB

Deacetoxycephalosporin C synthase complexed with 2-oxoglutarate and penicillin G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-15
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	106.600, 106.600, 71.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.800 - 1.700
R-factor	0.191
Rwork	0.189
R-free	0.24000 *
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]	56.800	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.087 *	0.231
Total number of observations	216411 *
Number of reflections	30873
Completeness [%]	92.6	99
Redundancy	4.5

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)