6DAX

X-ray crystal structure of VioC bound to Fe(II), L-homoarginine, and 2-oxoglutarate

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)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	80.376, 67.076, 62.646
Unit cell angles	90.00, 108.72, 90.00

Refinement procedure

Resolution	50.000 - 1.700
R-factor	0.2161
Rwork	0.216
R-free	0.22380
RMSD bond length	0.005
RMSD bond angle	0.991
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.054	0.048	0.432
Rmeas	0.063	0.057	0.512
Rpim	0.033	0.030	0.272
Number of reflections	33837	1773	1490
<I/σ(I)>	11.3
Completeness [%]	97.2	98.1	86.7
Redundancy	3.6	3.6	3.3
CC(1/2)		0.967	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	2-oxoglutarate, Tris-HCl