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6HQL

Crystal structure of GcoA F169H bound to guaiacol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2018-08-05
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.9795
Spacegroup nameP 43 21 2
Unit cell lengths101.986, 101.986, 109.905
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.993 - 1.490
R-factor0.1756
Rwork0.174
R-free0.19840
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5ncb
RMSD bond length0.014
RMSD bond angle1.371
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwarePHASER
Refinement softwarePHENIX ((1.11.1_2575: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]60.2901.530
High resolution limit [Å]1.4901.490
Number of reflections93998
<I/σ(I)>14.9
Completeness [%]100.0
Redundancy12.6
CC(1/2)0.999
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP289Sodium malonate, HEPES, guaiacol.

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