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4UNQ

Mtb TMK in complex with compound 36

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E
Temperature [K]100
Detector technologyCCD
Collection date2009-10-10
DetectorRIGAKU CCD
Spacegroup nameP 32
Unit cell lengths75.459, 75.459, 71.579
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution65.360 - 2.300
R-factor0.17648
Rwork0.175
R-free0.21289
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1g3u
RMSD bond length0.014
RMSD bond angle1.347
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]65.4002.380
High resolution limit [Å]2.3002.300
Rmerge0.1000.380
Number of reflections20011
<I/σ(I)>6.72.5
Completeness [%]98.997.9
Redundancy4.34.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

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