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5LVA

Crystal structure of thermophilic tryptophan halogenase (Th-Hal) enzyme from Streptomycin violaceusniger.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]180
Detector technologyPIXEL
Collection date2014-11-28
DetectorDECTRIS PILATUS3 S 6M
Wavelength(s)0.979
Spacegroup nameP 61 2 2
Unit cell lengths66.840, 66.840, 335.000
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution51.391 - 2.530
R-factor0.1856
Rwork0.183
R-free0.23830
RMSD bond length0.009
RMSD bond angle1.185
Data reduction softwareXDS
Data scaling softwareXDS
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 Overall
Low resolution limit [Å]54.710
High resolution limit [Å]2.530
Number of reflections15952
<I/σ(I)>19.7
Completeness [%]99.9
Redundancy18.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.1 M amino acids in a 0.1 M buffer (1.0M imidazole + MES monohydrate acid buffer) at pH 6.5 made up with a 50% v/v precipitant mix (that contained 10% w/v PEG 20,000; 20% v/v PEG MME 550)

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