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7WRP

Crystal Structure of pks13-ACP domain from Corynebacterium diphtheriae

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-05-14
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9784
Spacegroup nameP 41 21 2
Unit cell lengths48.886, 48.886, 111.882
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.568 - 1.794
R-factor0.1965
Rwork0.196
R-free0.21330
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6c4q
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.830
High resolution limit [Å]1.7944.8801.800
Rmerge0.1210.0950.591
Rmeas0.1250.0980.603
Rpim0.0280.0230.122
Number of reflections13451786667
<I/σ(I)>7.4
Completeness [%]100.0100100
Redundancy22.219.424.3
CC(1/2)0.9970.954
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION82930.2 M (NH4)2SO4, 0.1 M NaAc??3H2O pH 4.6, 25% w/v PEG 4,000, VAPOR DIFFUSION, Sitting DROP, temperature 293K

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