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9DHI

DHODH in complex with Compound 7

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-01-29
DetectorDECTRIS EIGER2 S 16M
Wavelength(s)0.9999
Spacegroup nameP 32 2 1
Unit cell lengths90.758, 90.758, 122.778
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution78.600 - 1.380
R-factor0.11776
Rwork0.117
R-free0.13865
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.444
Data reduction softwareautoPROC (Version 1.1.7)
Data scaling softwareautoPROC (Version 1.1.7)
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6001.403
High resolution limit [Å]1.3801.380
Rmerge0.076
Rpim0.0220.561
Number of reflections1204235937
<I/σ(I)>16.5231.301
Completeness [%]100.0100
Redundancy12.4712.67
CC(1/2)0.9990.559
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol

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