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5A0D

N-terminal thioester domain of surface protein from Clostridium perfringens, Cys138Ala mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyPIXEL
Collection date2013-09-22
DetectorDECTRIS PILATUS
Spacegroup nameP 21 21 2
Unit cell lengths98.420, 110.720, 68.770
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution44.970 - 1.600
R-factor0.17906
Rwork0.177
R-free0.21015
Structure solution methodSAD
Starting model (for MR)NONE
RMSD bond length0.013
RMSD bond angle1.567
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHENIX
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.9701.640
High resolution limit [Å]1.6001.600
Rmerge0.0500.740
Number of reflections99659
<I/σ(I)>31.64.3
Completeness [%]100.099.9
Redundancy18.118.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.2 M POTASSIUM THIOCYANATE, 0.1 M BIS -TRIS PROPANE PH 6.5, 20% PEG 3350

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