9H8Z
FAD-dependent monooxygenase sorC with sorbicillin bound
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.321, 90.965, 94.552 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.660 - 1.710 |
| R-factor | 0.17494 |
| Rwork | 0.172 |
| R-free | 0.22737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.320 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.053 | 1.019 |
| Rmeas | 0.060 | 1.163 |
| Rpim | 0.028 | 0.547 |
| Total number of observations | 165546 | 7416 |
| Number of reflections | 38849 | 1814 |
| <I/σ(I)> | 13.1 | 1.2 |
| Completeness [%] | 96.4 | |
| Redundancy | 4.3 | 4.1 |
| CC(1/2) | 0.999 | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2 M ammonium citrate dibasic, 20% PEG3350, 1 mM sorbicillin, 1 mM NAD+ |
