1PO5

Structure of mammalian cytochrome P450 2B4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	57.090, 114.200, 133.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.700 - 1.600
R-factor	0.217
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1N6B WITH NON-IDENTICAL RESIDUES TRUNCATED AT C-BETA
RMSD bond length	0.008 *
RMSD bond angle	2.000 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.700	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.058	0.591
Total number of observations	197894 *
Number of reflections	57717
<I/σ(I)>	11.4	2.1
Completeness [%]	99.5	98.8
Redundancy	3.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	18 *	ethanol, sodium citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	P450	0.28 (mM)
10	1	reservoir	ethanol	15 (%)
11	1	reservoir	sodium citrate	0.1 (M)	pH5.5
2	1	drop	Cymal-5	2.4 (mM)
3	1	drop	ethanol	7.5 (%)
4	1	drop	sodium citrate	50 (mM)	pH5.5
5	1	drop	potassium phosphate	25 (mM)	pH7.4
6	1	drop		250 (mM)
7	1	drop	EDTA	0.5 (mM)
8	1	drop	dithiothreitol	0.1 (mM)
9	1	drop	glycerol	10 (%)