1YAC

THE 1.8 ANGSTROM CRYSTAL STRUCTURE OF THE YCAC GENE PRODUCT FROM ESCHERICHIA COLI REVEALS AN OCTAMERIC HYDROLASE OF UNKNOWN SPECIFICITY

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	90
Detector technology	CCD
Collection date	1997-07-09
Detector	ADSC
Spacegroup name	P 4 21 2
Unit cell lengths	91.898, 91.898, 113.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.175 *
Rwork	0.175
R-free	0.19600
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	1.618
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.067 *	0.260
Total number of observations	308775 *
Number of reflections	45076 *
<I/σ(I)>	22.64	4.56
Completeness [%]	98.8 *	95.6 *
Redundancy	6.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.4 (M)
2	1	reservoir	MES	100 (mM)