1OZE

Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1:Catalytic Implications

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	119
Detector technology	IMAGE PLATE
Collection date	2002-11-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	61.662, 54.368, 71.748
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	50.000 - 2.190
Rwork	0.209
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QQ8
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.105	0.603 *
Total number of observations	157747 *
Number of reflections	30463 *
<I/σ(I)>	22.2	2.29
Completeness [%]	95.1 *	94.1
Redundancy	7.4	4.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	301	ammomium sulphate, 1,6 hexanediol, HEPES, water, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 301K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.08 (M)
2	1	reservoir	HEPES	100 (mM)	pH7.5
3	1	reservoir	1,6-hexanediol	0.9 (%(v/v))
4	1	drop	protein	45 (mg/ml)
5	1	drop	potassium phosphate	20 (mM)	pH7.4