1AGY

The 1.15 angstrom refined structure of fusarium solani pisi cutinase

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	288
Detector technology	AREA DETECTOR
Collection date	1993-01
Detector	NICOLET
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	20.000 - 1.150
R-factor	0.175
Rwork	0.175
R-free	0.19700
Structure solution method	RESOLUTION EXTENSION
Starting model (for MR)	CUTINASE STRUCTURE AT 1.6 ANGSTROM RESOLUTION
RMSD bond length	0.019
RMSD bond angle	59.960 *
Data reduction software	MARSCALE
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.200
High resolution limit [Å]	1.150	1.150
Rmerge	0.010	0.030
Number of reflections	60972
<I/σ(I)>	27.46	3.21
Completeness [%]	95.2	84.2
Redundancy	4.09	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	20 *	Abergel, C., (1990) J. Mol. Biol., 215, 215. *

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	PEG1000	15-20 (%(w/v))