4DQL

Crystal structure of the FAD binding domain of cytochrome P450 BM3 in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-05-05
Detector	MAR CCD 165 mm
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	190.665, 190.665, 74.332
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.920 - 2.150
R-factor	0.19245
Rwork	0.191
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	2.061
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.920
High resolution limit [Å]	2.150
Number of reflections	79522
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	Sitting drops were prepared by adding 2 l of mother liquor to 2 l of 12 mg/ml FAD domain. Crystals were obtained using a well solution of 28% polyethylene glycol 8000, 0.3 M ammonium sulfate, cacodylate buffer pH 6.5. Crystals of dimensions 70 x 70 x 900 M formed after 4-7 days. In order to form a coenzyme complex with NADP+, C773A/C999A FAD domain crystals were soaked in a 10 mM NADP+ solution for 10 minutes., VAPOR DIFFUSION, HANGING DROP, temperature 293K