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3UPP

Structure of penicillin-binding protein A from M. tuberculosis: ceftrixaone acyl-enzyme complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2011-06-12
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)1.00
Spacegroup nameP 61
Unit cell lengths123.078, 123.078, 101.284
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution40.290 - 2.400
R-factor0.20296
Rwork0.201
R-free0.24708
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)3lo7
RMSD bond length0.011
RMSD bond angle1.360
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.7002.490
High resolution limit [Å]2.4002.400
Rmerge0.0800.623
Number of reflections33749
<I/σ(I)>34.52.2
Completeness [%]98.789.6
Redundancy10.27.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.529225% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

225158

数据于2024-09-18公开中

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