1FFC

CONTRIBUTION OF CUTINASE SERINE 42 SIDE CHAIN TO THE STABILIZATION OF THE OXYANION TRANSITION STATE

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1994-01-27
Detector	MAR scanner 180 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	35.120, 67.360, 37.050
Unit cell angles	90.00, 93.90, 90.00

Refinement procedure

Resolution	6.000 - 1.750
R-factor	0.14
Rwork	0.140
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.750 *
Rmerge	0.042
Total number of observations	55204 *
Number of reflections	15547
Completeness [%]	89.3
Redundancy	3.6	3.6 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)
3	1	reservoir	PEG6000	2-5 (%(w/v))