4PWV
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in complex with a peptidyl carrier protein domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97968 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 95.260, 95.260, 336.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.620 - 3.000 |
R-factor | 0.23555 |
Rwork | 0.233 |
R-free | 0.27700 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.880 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.630 | 3.200 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.143 | 0.709 |
Number of reflections | 19079 | |
<I/σ(I)> | 20.9 | 6.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 20.5 | 21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 20% PEG3350, 0.15 M calcium acetate, 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |