8TTK

Tryptophan-6-halogenase BorH apo structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	73.740, 157.580, 112.970
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	37.920 - 1.980
R-factor	0.2214
Rwork	0.221
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.920	2.051
High resolution limit [Å]	1.980	1.980
Rmerge	0.097	0.753
Rmeas	0.137	1.065
Rpim	0.097	0.753
Number of reflections	164806	16702
<I/σ(I)>	5.59	0.98
Completeness [%]	95.0	96.5
Redundancy	2	1.9
CC(1/2)	0.957	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M Bis-Tris pH 6.5 300 mM (NH4)2SO4 19% (w/v) PEG 8000.