6NSD

Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	51.351, 68.212, 85.362
Unit cell angles	104.68, 103.77, 106.42

Refinement procedure

Resolution	41.740 - 1.740
R-factor	0.1652
Rwork	0.164
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lv9
RMSD bond length	0.006
RMSD bond angle	0.872
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.430	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.113	0.485
Number of reflections	100573	5046
<I/σ(I)>	5.3	2.2
Completeness [%]	95.9	95.6
Redundancy	3.8	3.7
CC(1/2)	0.990	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	0.1 M BisTris methane (pH 6.5), 0.35 M Li2SO4, 28% PEG 3350