5YW0

Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with succinate and Fe(III)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.716, 59.274, 116.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.536 - 1.490
R-factor	0.1674
Rwork	0.167
R-free	0.18290
RMSD bond length	0.005
RMSD bond angle	0.790
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.520
High resolution limit [Å]	1.490	4.040	1.490
Rmerge	0.083	0.061	0.456
Number of reflections	50288	2835	1978
<I/σ(I)>	9.9
Completeness [%]	95.5	98.6	77
Redundancy	5.9	6.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	288	0.1M Sodium acetate (pH=4.5), 200mM Lithium sulfate, 50 % v/v PEG 400