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2FHH

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with a peptidyl boronate inhibitor MLN-273

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]77
Detector technologyCCD
Collection date2005-02-01
DetectorADSC QUANTUM 4
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths173.957, 116.172, 200.203
Unit cell angles90.00, 112.71, 90.00
Refinement procedure
Resolution50.000 - 2.990
R-factor0.22814
Rwork0.226
R-free0.26163
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1q5q
RMSD bond length0.010
RMSD bond angle1.298
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.110
High resolution limit [Å]2.9902.990
Rmerge0.0580.250
Number of reflections139848
<I/σ(I)>18.62.6
Completeness [%]0.90.844
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.72938% PEG 6000, 50 mM sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K

217705

數據於2024-03-27公開中

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