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8AIT

Crystal structure of cutinase PbauzCut from Pseudomonas bauzanensis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-03-11
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.91587
Spacegroup nameP 1 21 1
Unit cell lengths43.100, 52.900, 56.748
Unit cell angles90.00, 106.31, 90.00
Refinement procedure
Resolution41.367 - 1.240
Rwork0.214
R-free0.23790
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4cg1
RMSD bond length0.010
RMSD bond angle1.707
Data reduction softwareDIALS
Data scaling softwareDIALS
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0352)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]52.9001.260
High resolution limit [Å]1.2401.240
Rmerge0.0970.483
Rpim0.0630.314
Number of reflections692633366
<I/σ(I)>6.12
Completeness [%]99.696.6
Redundancy3.23.3
CC(1/2)0.9910.563
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.1 M Sodium acetate 4.5, 50 % w/v PEG 400, 0.2 M Lithium sulfate

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