2Q6N

Structure of Cytochrome P450 2B4 with Bound 1-(4-cholorophenyl)imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	140.000, 147.310, 238.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.200
Rwork	0.233
R-free	0.31100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1suo
RMSD bond length	0.005
RMSD bond angle	1.142
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	147.442	147.440	3.280
High resolution limit [Å]	3.200	14.310	3.200
Rmerge	0.110	0.045	0.831
Total number of observations		3311	24448
Number of reflections	81299
<I/σ(I)>	4.9	13.9	0.9
Completeness [%]	99.4	94.2	100
Redundancy	4	3.4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	5% MPD, 10-12% PEG 6000, and 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K