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7WOL

Crystal structure of lipase TrLipB from Thermomocrobium roseum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL45XU
Synchrotron siteSPring-8
BeamlineBL45XU
Temperature [K]100
Detector technologyPIXEL
Collection date2021-11-19
DetectorDECTRIS PILATUS3 6M
Wavelength(s)1.00000
Spacegroup nameP 43 21 2
Unit cell lengths129.402, 129.402, 122.792
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.750 - 2.000
Rwork0.157
R-free0.18620
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1lzk
RMSD bond length0.008
RMSD bond angle1.454
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.7502.040
High resolution limit [Å]2.0002.000
Rmerge0.0820.821
Number of reflections708194504
<I/σ(I)>22.8
Completeness [%]100.0
Redundancy14.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2931M Succinic acid,0.1M HEPES,7,1% w/vPEG 2000 MME

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