8GU0

Crystal structure of a fungal halogenase RadH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.95373
Spacegroup name	P 4
Unit cell lengths	135.174, 135.174, 52.693
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.090 - 2.420
R-factor	0.2312
Rwork	0.229
R-free	0.27690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e1t
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX (dev_3885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.100	2.600
High resolution limit [Å]	2.420	2.420
Number of reflections	22240	1112
<I/σ(I)>	11.1
Completeness [%]	91.3
Redundancy	6.8
CC(1/2)	0.999	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.1M MES, pH6.5, 40% PEG200