4PXH
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) | 1.00002 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 161.700, 161.700, 337.490 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.893 - 2.700 |
R-factor | 0.21608 |
Rwork | 0.214 |
R-free | 0.24598 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwv |
RMSD bond length | 0.006 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.893 | 3.000 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.117 | 0.661 |
Number of reflections | 72098 | |
<I/σ(I)> | 24.5 | 5.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 19.7 | 19.9 |
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 |