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4ANE

R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID23-1
Synchrotron siteESRF
BeamlineID23-1
Temperature [K]107
Detector technologyCCD
Collection date2007-06-25
DetectorADSC CCD
Spacegroup nameI 1 2 1
Unit cell lengths68.820, 113.340, 107.561
Unit cell angles90.00, 106.40, 90.00
Refinement procedure
Resolution29.651 - 1.900
R-factor0.1869
Rwork0.184
R-free0.23480
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1k44
RMSD bond length0.009
RMSD bond angle1.078
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.9001.930
High resolution limit [Å]1.9001.900
Rmerge0.0600.140
Number of reflections57601
<I/σ(I)>7.83.6
Completeness [%]92.983.7
Redundancy1.91.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.630% (W/V) PEG4000, 0.2 M AMMONIUM ACETATE, 0.1 M TRI-SODIUM CITRATE, PH 5.6

217705

数据于2024-03-27公开中

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