9CV8
Crystal Structure of Cytochrome P450 NysL bound to nystatin
This is a non-PDB format compatible entry.
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 | 2021-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979460 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 136.290, 136.290, 135.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.790 - 2.000 |
| R-factor | 0.1901 |
| Rwork | 0.189 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.057 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.18-3845-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.790 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.173 | 1.030 |
| Rmeas | 0.181 | 1.000 |
| Rpim | 0.053 | 0.320 |
| Number of reflections | 98254 | 9674 |
| <I/σ(I)> | 18.25 | 1.65 |
| Completeness [%] | 99.8 | |
| Redundancy | 9.1 | 2.1 |
| CC(1/2) | 0.995 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM Bis-tris propane (pH 7), 1.5 M lithium sulfate |
