1FFB

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

Experimental procedure

Detector technology	IMAGE PLATE
Collection date	1993-10-13
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	36.950, 64.230, 37.110
Unit cell angles	90.00, 116.12, 90.00

Refinement procedure

Resolution	6.000 - 1.750
R-factor	0.147
Rwork	0.147
RMSD bond length	0.008
RMSD bond angle	1.460
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	0.045
Total number of observations	50443 *
Number of reflections	15053
Completeness [%]	93.3
Redundancy	3.4	3.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	29 *

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	10-20 (%(w/v))