1J77

Crystal Structure of Gram-negative Bacterial Heme Oxygenase Complexed with Heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-26
Detector	MARRESEARCH
Wavelength(s)	1.5498, 1.7377, 1.7401, 1.9075
Spacegroup name	P 43 21 2
Unit cell lengths	63.167, 63.167, 100.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.450 - 1.500
R-factor	0.2289
Rwork	0.227
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.543
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.670	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	0.532
Total number of observations	161249 *
Number of reflections	31486
<I/σ(I)>	13.3	2.1
Completeness [%]	94.9 *	92.1
Redundancy	5.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	PEG 3350, sodium acetate, Tris hydrochloride, pH 8.50, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	PEG3350	32.5 (%)
4	1	drop	protein	32 (mg/ml)