3WKT

Complex structure of an open form of NADPH-cytochrome P450 reductase and heme oxygenase-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-08
Detector	RAYONIX MX225HE
Wavelength(s)	0.9
Spacegroup name	P 61
Unit cell lengths	290.336, 290.336, 83.646
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.340 - 4.300
R-factor	0.224
Rwork	0.222
R-free	0.25599
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3es9 1dve
RMSD bond length	0.012
RMSD bond angle	1.801
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.370
High resolution limit [Å]	4.300	4.300
Number of reflections	26421
<I/σ(I)>	6.2	2.8
Completeness [%]	99.9	100
Redundancy	12	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	293	18% PEG 6000, 0.2M sodium acetate, 0.1M Tris-HCl, pH 8.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K