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9ESB

Holo IDO with a bound inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2017-10-20
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths84.245, 92.135, 132.329
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.070 - 2.249
R-factor0.2405
Rwork0.239
R-free0.27150
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.870
Data reduction softwareautoPROC
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.8)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.1002.390
High resolution limit [Å]2.2502.250
Rmeas0.1341.600
Number of reflections9426415079
<I/σ(I)>9.30.84
Completeness [%]99.6
Redundancy3.5
CC(1/2)0.9970.400
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29310% w/v PEG 4000, 20% v/v glycerol, 0.1 M MOPS/HEPES-Na pH 7.5

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