2Q32

Crystal structure of human heme oxygenase-2 C127A (HO-2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	75.769, 86.017, 97.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.148 - 2.400
R-factor	0.204
Rwork	0.201
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n45
RMSD bond length	0.011
RMSD bond angle	1.255
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.148	49.148	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.082	0.036	0.608
Number of reflections	28128
<I/σ(I)>	13.505		1.929
Completeness [%]	95.9	99.8	78.2
Redundancy	7.3	7.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	Protein solution (5 mg/ml Protein, 0.050 M Potassium chloride, 0.005 M Tris-HCl pH 8.5) mixed in a 1.5:1 ratio with the well solution (40% PEG 1500, 0.20 M Potassium glutamate, 0.10 M Triethanolamine, pH 8.5). Cryoprotected with well solution, VAPOR DIFUSSION, HANGING DROP, temperature 277K, VAPOR DIFFUSION, HANGING DROP