5Y9X

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

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	2011-07-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.038, 59.263, 116.253
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.363 - 1.390
R-factor	0.1344
Rwork	0.133
R-free	0.16800
RMSD bond length	0.005
RMSD bond angle	0.789
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	1.410
High resolution limit [Å]	1.390	3.770	1.390
Rmerge	0.065	0.031	0.433
Number of reflections	61166	3493	2622
<I/σ(I)>	9.3
Completeness [%]	93.9	99	81.5
Redundancy	7	7.7	4.3

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