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8A4D

1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa with a thiamine analog inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-27
DetectorDECTRIS PILATUS 2M-F
Wavelength(s)0.97
Spacegroup nameP 21 21 21
Unit cell lengths116.618, 137.618, 231.681
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.540 - 2.200
R-factor0.179
Rwork0.176
R-free0.24090
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6ouv
RMSD bond length0.011
RMSD bond angle1.121
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.7102.279
High resolution limit [Å]2.1002.200
Rmerge0.1090.566
Number of reflections21663418546
<I/σ(I)>6.86
Completeness [%]99.6
Redundancy2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP291.15100mM HEPES, 12% PEG-8000 and 200mM calcium acetate

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