5YBO

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA in complex with preaustinoid A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL17A
Synchrotron site	NSRRC
Beamline	BL17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2016-11-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 62
Unit cell lengths	171.816, 171.816, 45.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.655 - 2.204
R-factor	0.2152
Rwork	0.213
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ybm
RMSD bond length	0.008
RMSD bond angle	0.938
Data scaling software	Aimless
Phasing software	PHENIX ((1.10.1_2155))
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	39248
<I/σ(I)>	17.5
Completeness [%]	99.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, lithium citrate