2BDM

Structure of Cytochrome P450 2B4 with Bound Bifonazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 61 2 2
Unit cell lengths	203.210, 203.210, 103.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.2
Rwork	0.196
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1po5 1suo
RMSD bond length	0.006
RMSD bond angle	1.297
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.540	28.540	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.082	0.028	0.467
Number of reflections	56020
<I/σ(I)>	7.7	21	1.6
Completeness [%]	99.9
Redundancy	10.1	8.4	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	NaCl, pH 6.5, temperature 291K, VAPOR DIFFUSION, HANGING DROP