5IQU

WelO5 G166D variant bound to Fe(II), 2-oxoglutarate, and 12-epifischerindole U

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03
Spacegroup name	C 1 2 1
Unit cell lengths	74.107, 54.127, 74.639
Unit cell angles	90.00, 90.79, 90.00

Refinement procedure

Resolution	50.000 - 2.510
R-factor	0.225
Rwork	0.223
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iqs
RMSD bond length	0.005
RMSD bond angle	1.039
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.056	0.035	0.292
Number of reflections	8378
<I/σ(I)>	9.7
Completeness [%]	99.0	99.6	92.7
Redundancy	3.6	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.1 M Bis-tris pH 5.5, 0.1 M sodium acetate pH 4.5