4WFI

Crystal structure of PET-degrading cutinase Cut190 S226P mutant in Ca(2+)-free state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	CCD
Collection date	2012-12-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	57.447, 65.142, 69.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.498 - 1.446
R-factor	0.1764
Rwork	0.176
R-free	0.19130
RMSD bond length	0.006
RMSD bond angle	1.069
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.446
Number of reflections	47285
<I/σ(I)>	74.7
Completeness [%]	100.0
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	50 mM Bis-Tris, 50 mM ammonium sulfate, 25% (w/v) pentaerythritol ethoxylate (15/4 EO/OH)