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6ZA6

M. tuberculosis salicylate synthase MbtI in complex with Ba2+

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSOLEIL BEAMLINE PROXIMA 2
Synchrotron siteSOLEIL
BeamlinePROXIMA 2
Temperature [K]100
Detector technologyPIXEL
Collection date2018-11-30
DetectorDECTRIS EIGER X 9M
Wavelength(s)0.98012
Spacegroup nameP 1 21 1
Unit cell lengths88.040, 116.900, 94.090
Unit cell angles90.00, 91.60, 90.00
Refinement procedure
Resolution43.630 - 1.804
R-factor0.197
Rwork0.196
R-free0.21390
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3rv7
RMSD bond length0.008
RMSD bond angle0.900
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.3)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.6301.850
High resolution limit [Å]1.8001.800
Rpim0.0300.595
Number of reflections17340411664
<I/σ(I)>14.6
Completeness [%]99.2
Redundancy6.8
CC(1/2)0.9990.622
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.04 M KH2PO4, 16% PEG 8000, 16% glycerol.

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