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5Q6Z

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 172)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Detector technologyPIXEL
Collection date2017-04-11
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.92
Spacegroup nameP 21 21 21
Unit cell lengths51.900, 56.820, 115.010
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution57.510 - 1.620
R-factor0.2323
Rwork0.230
R-free0.26980
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5aho
RMSD bond length0.019
RMSD bond angle1.877
Data reduction softwareXDS
Data scaling softwareAimless (0.5.31)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]57.51057.5101.660
High resolution limit [Å]1.6207.2401.620
Rmerge0.1380.0541.798
Rmeas0.1510.0591.951
Rpim0.0610.0230.753
Total number of observations271233355021206
Number of reflections44052
<I/σ(I)>10370.9
Completeness [%]99.999.999.9
Redundancy6.266.7
CC(1/2)0.9970.9980.536
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP629830% PEG 1000, 0.1M MIB buffer

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