6H44

Flavin-dependent Tryptophan 6-halogenase Thal in complex with tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 64
Unit cell lengths	136.700, 136.700, 144.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.770 - 2.550
R-factor	0.18118
Rwork	0.179
R-free	0.22506
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Thal
RMSD bond length	0.008
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.620
High resolution limit [Å]	2.550	2.550
Rmeas	0.172	1.776
Number of reflections	50056	3700
<I/σ(I)>	15.89	2.07
Completeness [%]	100.0	100
Redundancy	20.59	20.74
CC(1/2)	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1