5LV9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	180
Detector technology	PIXEL
Collection date	2014-11-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	67.140, 67.140, 477.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.493 - 2.330
R-factor	0.1812
Rwork	0.179
R-free	0.22430
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	57.700
High resolution limit [Å]	2.330
Number of reflections	51611
<I/σ(I)>	11.7
Completeness [%]	99.7
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.06 M divalents (0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dehydrate) in 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 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350).