1OYK

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	2002-04-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	55.665, 77.662, 100.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.590
R-factor	0.23351
Rwork	0.234
R-free	0.29100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QQ8
RMSD bond length	0.008
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.590
Rmerge	0.066 *	0.532 *
Total number of observations	135214 *
Number of reflections	33028 *
<I/σ(I)>	19.8
Completeness [%]	98.7
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	301	ammomium sulphate, 1,6 hexane-diol, 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