5YVZ

Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with alphaketoglutarate 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	2012-04-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.710, 59.204, 116.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.547 - 1.600
R-factor	0.1607
Rwork	0.160
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5Y7S
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.104	0.083	0.468
Number of reflections	41701	2309	1828
<I/σ(I)>	11.9
Completeness [%]	98.2	99.1	86.5
Redundancy	10	10	7.3

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