5YBQ

Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A2

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	2016-12-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 62
Unit cell lengths	171.361, 171.361, 45.559
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.553 - 2.250
R-factor	0.2098
Rwork	0.207
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ybm
RMSD bond length	0.008
RMSD bond angle	0.942
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]	49.000	2.320
High resolution limit [Å]	2.250	2.250
Number of reflections	36757
<I/σ(I)>	14.3
Completeness [%]	99.8
Redundancy	5

Crystallization Conditions

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