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6EFU

Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsLNLS BEAMLINE W01B-MX2
Synchrotron siteLNLS
BeamlineW01B-MX2
Temperature [K]100
Detector technologyPIXEL
Collection date2017-09-12
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.459
Spacegroup nameP 21 21 21
Unit cell lengths91.612, 96.213, 96.445
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.222 - 2.200
R-factor0.1806
Rwork0.178
R-free0.22110
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5bwf
RMSD bond length0.004
RMSD bond angle0.788
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.8.3_1479))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]48.22248.2222.330
High resolution limit [Å]2.2006.5502.200
Rmerge0.1490.0351.382
Rmeas0.1640.0381.520
Number of reflections4387717966977
<I/σ(I)>9.7437.891.27
Completeness [%]99.998.799.7
Redundancy5.7845.6745.774
CC(1/2)0.9970.9990.490
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.5291PEG 3350 (20% w/v); 0.2 M sodium nitrate; 0.1 M Bis-tris propane pH 6.5

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