6A2E

Apo structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase

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	2011-06-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	45.896, 59.541, 116.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.605 - 1.939
R-factor	0.159
Rwork	0.157
R-free	0.20520
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.767
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	1.970
High resolution limit [Å]	1.939	5.260	1.940
Rmerge	0.097	0.041	0.281
Number of reflections	24341	1367	1038
<I/σ(I)>	8.5		5.16
Completeness [%]	99.3	99.7	87.1
Redundancy	7	6.6	5.2

Crystallization Conditions

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