7SHI

Crystal Structure of Cytochrome P450 AmphL from Streptomyces nodosus and the Structural Basis for Substrate Selectivity in Macrolide Metabolizing P450s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	73.458, 68.154, 147.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.880 - 2.000
R-factor	0.1916
Rwork	0.189
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x9p
RMSD bond length	0.007
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.18_3845: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.890	2.072
High resolution limit [Å]	2.000	2.000
Rmerge	0.095
Number of reflections	50714	3950
<I/σ(I)>	11.28
Completeness [%]	94.9
Redundancy	2
CC(1/2)	0.949	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM Bis-Tris pH 7; 200 mM Lithium Sulfate; 25% PEG 3350