8K1X
Biochemical and structural characterization of a multifunctional cytochrome P450 SpcN in staurosporine biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2018-06-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 206.960, 121.790, 64.210 |
| Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
| Resolution | 55.170 - 2.270 |
| R-factor | 0.2143 |
| Rwork | 0.211 |
| R-free | 0.23430 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.747 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.170 | 2.330 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.075 | 0.815 |
| Rmeas | 0.089 | 0.964 |
| Rpim | 0.048 | 0.509 |
| Total number of observations | 242116 | 18548 |
| Number of reflections | 70854 | 5273 |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 96.6 | |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.993 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | MgCl2, Hepes, poly (arylic acid sodium salt) 5100 |
