5Y9Y

Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with succinate and Co(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
Spacegroup name	P 21 21 21
Unit cell lengths	45.762, 59.316, 116.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.565 - 1.599
R-factor	0.1608
Rwork	0.159
R-free	0.19350
RMSD bond length	0.007
RMSD bond angle	0.964
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	0.078	0.068	0.277
Total number of observations	205542
Number of reflections	40240	2285	1507
<I/σ(I)>	11.5
Completeness [%]	94.0	97.3	70.6
Redundancy	5.1	5.7	4.5

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