6DAZ

X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-23
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	81.788, 66.388, 63.042
Unit cell angles	90.00, 109.60, 90.00

Refinement procedure

Resolution	59.390 - 1.940
R-factor	0.2026
Rwork	0.201
R-free	0.23910
RMSD bond length	0.005
RMSD bond angle	1.014
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]	59.390	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.076	0.020	0.448
Rmeas	0.088	0.023	0.520
Rpim	0.045	0.012	0.264
Total number of observations	86615
Number of reflections	22782	1200	1102
<I/σ(I)>	7.2
Completeness [%]	98.4	99.8	97.5
Redundancy	3.8	3.7	3.8
CC(1/2)		0.999	0.894

Crystallization Conditions

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