1OXM

STRUCTURE OF CUTINASE

Experimental procedure

Temperature [K]	291
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	37.200, 69.200, 73.300
Unit cell angles	90.00, 93.80, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.163
Rwork	0.163
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE STRUCTURE AT 1.6 ANGSTROMS (PDB ENTRY 1CUS)
RMSD bond length	0.006
RMSD bond angle	1.325
Data reduction software	MARSCALE
Data scaling software	MARSCALE
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.052	0.177
Total number of observations	45670 *
Number of reflections	15569
<I/σ(I)>	25.13	6.9
Completeness [%]	93.8	67.7
Redundancy	2.94	2.3

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	cutinase	15 (mg/ml)
2	1	drop	HEPES	0.1 (M)
3	1	drop	PEG6000	14 (%(w/v))
4	1	reservoir	HEPES	0.1 (M)
5	1	reservoir	PEG6000	14 (%(w/v))