1N3U

Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-05-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	54.395, 55.920, 79.379
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	70.000 - 2.600 *
R-factor	0.227
Rwork	0.225
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1QQ8
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.000	2.640
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.074 *	0.566 *
Total number of observations	100842 *
Number of reflections	14273 *
<I/σ(I)>	10.1	3
Completeness [%]	96.9	94.4
Redundancy	7.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4 *	28 *	ammonium sulfate, HEPES, 1,6-hexanediol, 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 (%)
4	1	drop	protein	35 (mg/ml)
5	1	drop	potassium phosphate	20 (mM)	pH7.4