1UOG

Deacetoxycephalosporin C synthase complexed with deacetoxycephalosporin C

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	2001-06-15
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	106.600, 106.600, 74.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.400 - 1.700
R-factor	0.206
Rwork	0.204
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rxf
RMSD bond length	0.025
RMSD bond angle	2.365
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.400	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.186
Total number of observations	192826 *
Number of reflections	31415
Completeness [%]	91.0	99.5
Redundancy	4.8

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)