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5QQZ

PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-05
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.91587
Spacegroup nameC 1 2 1
Unit cell lengths125.868, 108.524, 75.776
Unit cell angles90.00, 109.22, 90.00
Refinement procedure
Resolution80.140 - 1.550
R-factor0.2117
Rwork0.210
R-free0.23610
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6hrh
RMSD bond length0.009
RMSD bond angle1.594
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]71.55571.5551.736
High resolution limit [Å]1.5534.8651.553
Rmeas0.0700.0320.758
Rpim0.0370.0170.440
Total number of observations3108571563313254
Number of reflections91602
<I/σ(I)>11.335.31.6
Completeness [%]95.299.673.7
Redundancy3.43.42.9
CC(1/2)0.9990.9990.637
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52980.1 M HEPES pH 7.5, 0.2 M magnesium chloride, 20% PEG3350

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