6F2E

Crystal structure of the APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 1
Unit cell lengths	56.650, 68.090, 110.220
Unit cell angles	107.85, 102.84, 93.23

Refinement procedure

Resolution	38.000 - 1.900
R-factor	0.178
Rwork	0.177
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.012
Number of reflections	117676	29174
<I/σ(I)>	10.24	1.31
Completeness [%]	98.5	95.6
Redundancy	4.65	3.45
CC(1/2)	0.997	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	KDO1 : 9.3 mg/ml in 0.2 M NaCl, .001 M DTT, 0.05M Tris-HCl, pH 8 Precipitant : 18% PEG3350, 0.15 M Tris pH 7.5, 0.3 M Na Acetate Soaking/cryo : 20% PEG3350, 0.15 M Tris pH 7.5, 0.3 M Na Acetate, 20% glycerol