1CUC

CUTINASE, N172K, R196D MUTANT, ORTHORHOMBIC CRYSTAL FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	37.000, 64.200, 71.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.750
R-factor	0.157
Rwork	0.157
RMSD bond length	0.008
RMSD bond angle	1.520
Data reduction software	MARXDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
High resolution limit [Å]	1.750 *
Rmerge	0.060
Total number of observations	135523 *
Number of reflections	15984
Completeness [%]	90.0
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *			CRYSTAL FORMS OF THIS MUTANT. THE THREE FORMS ARE REFERRED TO AS N172K,R196E_I, N172K,R196E_II, N172K,R196E_III BY THE AUTHORS.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG6000	2-20 (%(w/v))
2	1	drop	HEPES	100 (mM)
3	1	drop	cutinase	5-15 (mg/ml)