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 |