4NHY

Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 2
Unit cell lengths	108.680, 130.473, 175.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.238 - 2.603
R-factor	0.1913
Rwork	0.190
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kt7
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.117	0.049	0.913
Number of reflections	76983
<I/σ(I)>	8.3	21.3	1.92
Completeness [%]	100.0	99.9	100
Redundancy	5.5	5.2	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.0 mM MnCl2, 2.0 mM PD2, 20% (w/v) PEG 6000, 100 mM HEPES buffer and 200 mM MgCl2, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K