1ODS

Cephalosporin C deacetylase from Bacillus subtilis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9786, 0.9786, 0.9184, 0.908
Spacegroup name	H 3
Unit cell lengths	315.215, 315.215, 68.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 * - 1.900
R-factor	0.15387
Rwork	0.152
R-free	0.18600 *
Structure solution method	MAD
RMSD bond length	0.011 *
RMSD bond angle	1.320 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *
High resolution limit [Å]	1.900	1.900
Rmerge	0.045	0.221
Number of reflections	199895
<I/σ(I)>	14.9	4.4
Completeness [%]	99.9	98.8
Redundancy	3.3	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *		pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	MPD	30 (%(v/v))
3	1	reservoir		0.1 (M)
4	1	reservoir	MOPS	0.1 (M)	pH6.5