8K74
A novel monooxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.235, 59.614, 79.715 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 41.540 - 1.970 |
| R-factor | 0.1852 |
| Rwork | 0.183 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.942 |
| Data reduction software | HKL-3000 (7.21) |
| Data scaling software | HKL-3000 (7.21) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.540 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.106 | 0.068 |
| Number of reflections | 44419 | 2618 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 92.7 | |
| Redundancy | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 1.0 M Ammonium sulfate, 0.1 M HEPES pH7.0, 0.5% w/v Polyethylene glycol 8000. |
