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5QO0

Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_26)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
Collection date2018-04-28
DetectorADSC QUANTUM 210r
Wavelength(s)0.95370
Spacegroup nameC 1 2 1
Unit cell lengths117.333, 64.194, 74.675
Unit cell angles90.00, 125.98, 90.00
Refinement procedure
Resolution34.664 - 1.832
R-factor0.2344
Rwork0.233
R-free0.28410
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.250
Data reduction softwareXDS
Data scaling softwareAimless (0.5.32)
Phasing softwareMOLREP
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]47.47047.4701.870
High resolution limit [Å]1.8308.9701.830
Rmerge0.0300.0200.410
Rmeas0.0350.0240.471
Rpim0.0170.0130.229
Total number of observations16257010889372
Number of reflections394633162333
<I/σ(I)>17.941.52.2
Completeness [%]99.588.396.8
Redundancy4.13.44
CC(1/2)1.0000.9960.923
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.129311-13% PEG 8000 5-7.5% GLYCEROL 1 MM CUCL2 100 MM SODIUM CACODYLATE

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