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5Q8T

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 239)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Detector technologyPIXEL
Collection date2017-04-12
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.92
Spacegroup nameP 21 21 21
Unit cell lengths51.823, 58.208, 114.577
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution57.350 - 2.000
R-factor0.245
Rwork0.242
R-free0.29380
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5aho
RMSD bond length0.019
RMSD bond angle1.864
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]57.35058.2001.310
High resolution limit [Å]1.2805.7201.280
Rmerge0.0560.0381.014
Rmeas0.0620.0421.173
Rpim0.0250.0170.580
Total number of observations512302665225457
Number of reflections89972
<I/σ(I)>11.241.81
Completeness [%]99.999.999.3
Redundancy5.75.83.9
CC(1/2)0.9990.9990.636
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP629830% PEG 1000, 0.1M MIB buffer

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