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5QR8

PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57258487

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 lengths125.330, 108.280, 75.640
Unit cell angles90.00, 109.11, 90.00
Refinement procedure
Resolution59.280 - 1.850
R-factor0.2102
Rwork0.209
R-free0.24080
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6hrh
RMSD bond length0.008
RMSD bond angle1.567
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]59.21059.2101.900
High resolution limit [Å]1.8508.2701.850
Rmerge0.1030.0291.413
Rmeas0.1220.0351.667
Rpim0.0650.0190.878
Total number of observations275400304021076
Number of reflections80914
<I/σ(I)>8.2321
Completeness [%]99.694.799.9
Redundancy3.43.43.5
CC(1/2)0.9960.9970.443
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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