2QPP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	74.977, 85.094, 97.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.962 - 2.610
R-factor	0.205
Rwork	0.202
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q32
RMSD bond length	0.006
RMSD bond angle	0.951
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.413	42.413	2.400
High resolution limit [Å]	2.320	5.000	2.320
Rmerge	0.083	0.049	0.715
Number of reflections	24030
<I/σ(I)>	16.268		0.776
Completeness [%]	85.6	99.8	27.4
Redundancy	11.6	13.5	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution (5 mg/ml Protein, 1:1 ratio HEME, 2% DMSO, 0.050 M Potassium chloride, 0.050 M Tris-HCl pH 7.5) mixed in a 1.5:1 ratio with the Well solution (33% PEG DME 500, 0.020 M Magnesium chloride, 0.10 M HEPES pH 7.5). Cryoprotected with well solution, VAPOR DIFFUSION, HANGING DROP, temperature 277K