28EO

Crystal structure of heme oxygenase from Corynebacterium diphtheriae (HmuO) in complex with hydroperoxo-heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	54.110, 62.979, 107.351
Unit cell angles	90.00, 100.98, 90.00

Refinement procedure

Resolution	40.410 - 1.650
R-factor	0.1739
Rwork	0.172
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	84162	4037
<I/σ(I)>	17.51
Completeness [%]	99.2
Redundancy	6.7
CC(1/2)	0.996	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		303	ammonium sulfate, NaI, MES, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 303K