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5Q1Q

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000294a

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Detector technologyPIXEL
Collection date2016-09-29
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.92
Spacegroup nameP 21 21 21
Unit cell lengths52.060, 56.990, 114.850
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution56.990 - 1.440
R-factor0.1599
Rwork0.158
R-free0.19000
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5aho
RMSD bond length0.012
RMSD bond angle1.422
Data reduction softwareXDS
Data scaling softwareAimless (0.5.27)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]56.99056.9901.480
High resolution limit [Å]1.4406.4401.440
Rmerge0.0700.0371.383
Rmeas0.0760.0411.522
Rpim0.0300.0160.626
Total number of observations406691490226352
Number of reflections62718
<I/σ(I)>14.444.41.3
Completeness [%]100.099.8100
Redundancy6.565.7
CC(1/2)0.9990.9970.507
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP629830% PEG1000, 0.1 M MIB buffer

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