3EJE

Crystal Structure of P450BioI in complex with octadec-9Z-enoic acid ligated Acyl Carrier Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98089
Spacegroup name	P 1
Unit cell lengths	61.200, 92.000, 108.000
Unit cell angles	109.30, 90.80, 90.10

Refinement procedure

Resolution	19.950 - 2.100
R-factor	0.24215
Rwork	0.240
R-free	0.27431
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.640
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	125956
<I/σ(I)>	13.51	4.7
Completeness [%]	97.0	95.1
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Na HEPES, 0.25 M NaCl, 0.15 M Li2SO4, 19% PEG 4000, 0.2% n-heptyl b-D-thioglucopyranoside, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K