1MKA

E. COLI BETA-HYDROXYDECANOYL THIOL ESTER DEHYDRASE MODIFIED BY ITS CLASSIC MECHANISM-BASED INACTIVATOR, 3-DECYNOYL-N-ACETYL CYSTEAMINE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1992-03
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	68.000, 86.800, 60.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.000
R-factor	0.163
Rwork	0.163
R-free	0.21400
RMSD bond length	0.010
RMSD bond angle	27.700 *
Data reduction software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.048
Number of reflections	26075 *
Completeness [%]	97.0 *
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	2.5 (mg/ml)
2	1	1	3-decynoylNAC	3.7 (mM)
3	1	1	aceton	2 (%(v/v))