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7LU7

Human TDO (hTDO) in complex with NLG919 analog

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2017-01-05
DetectorRAYONIX MX225HE
Wavelength(s)0.979
Spacegroup nameP 21 21 2
Unit cell lengths143.263, 153.811, 87.975
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.950 - 2.300
Rwork0.189
R-free0.23640
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6pyz
RMSD bond length0.008
RMSD bond angle1.509
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.9682.340
High resolution limit [Å]2.2992.300
Number of reflections867794507
<I/σ(I)>7.1
Completeness [%]99.798.9
Redundancy1.91.7
CC(1/2)0.9980.999
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICROBATCH29350 mM sodium citrate, pH 5.6, 2% Tacsimate, pH 5.0, 5% PEG3350

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