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9G3T

Structure of the PRO-PRO endopeptidase (PPEP-3) E153A Y189F from Geobacillus thermodenitrificans

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2023-11-17
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.87313
Spacegroup nameP 41 21 2
Unit cell lengths125.622, 125.622, 63.483
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution62.810 - 1.600
R-factor0.1572
Rwork0.157
R-free0.17740
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.016
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX ((1.21.2_5419: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]70.00070.0001.640
High resolution limit [Å]1.6007.1501.600
Rmerge0.1340.0701.765
Rmeas0.1400.0801.835
Number of reflections12836414519339
<I/σ(I)>12.0833.691.54
Completeness [%]99.999.798.3
Redundancy13.413.449
CC(1/2)0.9980.9980.284
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5293.150.12 M Ethylene Glycols 0.1 M Tris-Bicine pH 8.5 30 % P550MME_P20K

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