6OXH

X-ray crystal structure of His-tagged Y140F FtmOx1 bound to Fe(II) 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	2017-10-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	73.512, 79.362, 91.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.960 - 1.920
R-factor	0.2313
Rwork	0.230
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ZON
RMSD bond length	0.005
RMSD bond angle	1.033
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
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	1.950
High resolution limit [Å]	1.920	5.210	1.920
Rmerge	0.080	0.041	0.850
Rmeas	0.087	0.044	0.930
Rpim	0.033	0.018	0.371
Total number of observations	271901
Number of reflections	40810	2238	1892
<I/σ(I)>	7.9
Completeness [%]	98.8	99.3	93.7
Redundancy	6.7	6.6	5.7
CC(1/2)		0.998	0.833

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	PEG4000, magnesium chloride, Tris-HCl