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4F47

The Structure of Enoyl-CoA hydratase EchA19 from Mycobacterium marinum

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2012-05-07
DetectorRIGAKU SATURN 944+
Wavelength(s)1.5418
Spacegroup nameP 3 2 1
Unit cell lengths76.440, 76.440, 73.490
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution38.220 - 1.750
R-factor0.1763
Rwork0.175
R-free0.20630
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3rsi
RMSD bond length0.011
RMSD bond angle1.468
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.0001.800
High resolution limit [Å]1.7507.8301.750
Rmerge0.0940.0690.268
Number of reflections254353371841
<I/σ(I)>12.825.463.64
Completeness [%]99.898.899
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP729820mg/ml MymaA.01530.e.A1, 200mM potassium citrate, 20% PEG 3350, cryoprotection 20% ethylene glycol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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