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2WYN

Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths94.349, 117.017, 203.565
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution101.530 - 2.100
R-factor0.16173
Rwork0.159
R-free0.20918
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2jjb
RMSD bond length0.014
RMSD bond angle1.475
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC (5.4.0077)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.170
High resolution limit [Å]2.1002.100
Rmerge0.1300.510
Number of reflections131010
<I/σ(I)>13.93.9
Completeness [%]100.0100
Redundancy6.76.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
13.511MG/ML PROTEIN, 2.0M AMMONIUM SULPHATE, 0.1M CITRATE BUFFER, PH 3.5, 10MM SARCOSINE.

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PDB entries from 2024-11-06

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