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9DC9

Mtb GuaB dCBS in complex with inhibitor compound 5

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08B1-1
Synchrotron siteCLSI
Beamline08B1-1
Temperature [K]100
Detector technologyPIXEL
Collection date2020-09-09
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.18057
Spacegroup nameI 4
Unit cell lengths89.749, 89.749, 85.963
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.590 - 1.600
R-factor0.1668
Rwork0.166
R-free0.19040
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.887
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.18.2-3874_final)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.8701.210
High resolution limit [Å]1.1901.190
Rmerge0.0544.115
Rmeas0.0595.722
Rpim0.0233.963
Total number of observations573257
Number of reflections955972306
<I/σ(I)>13.4
Completeness [%]86.9
Redundancy61.4
CC(1/2)1.0000.010
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.52930.1 M Tris pH 8.5, 0.2 M sodium citrate, & 30% PEG400

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