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5WGS

Crystal Structure of MalA' H253F, premalbrancheamide complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]100
Detector technologyPIXEL
Collection date2017-06-08
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.033
Spacegroup nameI 2 2 2
Unit cell lengths79.527, 121.149, 170.118
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.170 - 2.340
R-factor0.1792
Rwork0.176
R-free0.23370
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5wgr
RMSD bond length0.006
RMSD bond angle0.796
Data scaling softwareXDS
Phasing softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.1702.424
High resolution limit [Å]2.3402.340
Rmerge0.1591.681
Rmeas0.2182.061
Rpim0.0860.787
Number of reflections35017
<I/σ(I)>11.591.15
Completeness [%]99.899.36
Redundancy6.56.9
CC(1/2)0.9970.523
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.52772 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Bis-Tris pH 5.5, 5 mM cadmium chloride

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