1DZ8

oxygen complex of p450cam from pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	88
Detector technology	CCD
Collection date	1997-10-15
Detector	BRANDEIS
Spacegroup name	P 1 21 1
Unit cell lengths	67.000, 61.800, 94.700
Unit cell angles	90.00, 90.20, 90.00

Refinement procedure

Resolution	15.000 * - 1.800 *
R-factor	0.203 *
Rwork	0.174
R-free	0.24800
Structure solution method	OTHER
RMSD bond length	0.007 *
RMSD bond angle	1.790 *
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.092 *	0.388 *
Total number of observations	217362 *
Number of reflections	69362
<I/σ(I)>	9.5	2.2
Completeness [%]	96.6	85 *
Redundancy	3.1	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	275	CRYSTALS WERE GROWN USING THE SITTING DROP GEOMETRY AT 2 DEG. C. 5 UL OF 30 MG/ML P450 IN 50 MM TRIS HCL, 250 MM KCL, 0.5 MM CAMPHOR WERE MIXED WITH AN EQUAL VOLUME OF THE RESERVOIR SOLUTION (27-30% PEG 4000, 100 MM DTE, SAME BUFFER AS PROTEIN)., pH 7.40

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	Tris-HCl	50 (mM)	pH7.4
3	1	reservoir		250 (mM)
4	1	reservoir	DTE	100 (mM)
5	1	reservoir	camphor	1 (mM)
6	1	reservoir	PEG4000	27-30 (%)