6Y1W

Xcc4156, a flavin-dependent halogenase from Xanthomonas campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-07
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.917143
Spacegroup name	P 32
Unit cell lengths	119.960, 119.960, 70.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.660 - 1.600
R-factor	0.1596
Rwork	0.158
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6frl
RMSD bond length	0.011
RMSD bond angle	1.126
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	XSCALE (Mar 15, 2019)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14rc3_3199)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.660	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.094	1.396
Rmeas	0.099	1.476
Rpim	0.031	0.476
Number of reflections	149524	7328
<I/σ(I)>	17.1	1.7
Completeness [%]	100.0	100
Redundancy	10.4	9.5
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.6 M Na/K tartrate; 0.1 M MES pH 6.5 protein concentration 10 mg/mL drop size 3 uL drop ratio (protein : reservoir) 2 :1