6MP8

X-ray crystal structure of VioC bound to Fe(II), D-arginine, 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	79.957, 67.039, 62.130
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	59.040 - 1.890
R-factor	0.222
Rwork	0.220
R-free	0.25620
RMSD bond length	0.005
RMSD bond angle	0.993
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]	59.040	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.066	0.032	0.491
Rmeas	0.078	0.038	0.577
Rpim	0.040	0.020	0.300
Total number of observations	86472
Number of reflections	23222	1196	1087
<I/σ(I)>	8.6
Completeness [%]	93.7	93.4	85.4
Redundancy	3.7	3.5	3.7
CC(1/2)		0.997	0.878

Crystallization Conditions

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