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8TTJ

Tryptophan-6-halogenase BorH complexed with 6-chlorotryptophan

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyPIXEL
Collection date2019-07-08
DetectorDECTRIS EIGER X 9M
Wavelength(s)1.033
Spacegroup nameP 1 21 1
Unit cell lengths73.520, 157.971, 112.580
Unit cell angles90.00, 104.06, 90.00
Refinement procedure
Resolution35.470 - 1.980
R-factor0.1997
Rwork0.199
R-free0.23650
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.002
RMSD bond angle0.532
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.19.2_4158: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.4702.051
High resolution limit [Å]1.9801.980
Rmerge0.0990.770
Rmeas0.140
Rpim0.0990.770
Number of reflections16970216993
<I/σ(I)>4.911.06
Completeness [%]98.228.67
Redundancy22
CC(1/2)0.9870.247
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52980.1 M Bis-Tris pH 6.5 300 mM (NH4)2SO4 19% (w/v) PEG 8000.

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