4WFK

Crystal structure of PET-degrading cutinase Cut190 S226P mutant in Ca(2+)-bound state at 2.35 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	95
Detector technology	CCD
Collection date	2014-02-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.900
Spacegroup name	P 21 21 21
Unit cell lengths	54.630, 65.900, 70.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.571 - 2.350
R-factor	0.1707
Rwork	0.168
R-free	0.22350
RMSD bond length	0.008
RMSD bond angle	1.092
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.350
Number of reflections	20285
<I/σ(I)>	29.1
Completeness [%]	99.6
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M sodium fluoride, 20% (w/v) PEG 3350