6SE3
Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 3-6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-15 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 156.089, 156.089, 370.605 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.300 - 2.800 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nmw |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.235 | 2.876 |
| Number of reflections | 129389 | 6372 |
| <I/σ(I)> | 14.3 | 1.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 20.3 | |
| CC(1/2) | 0.998 | 0.409 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | PEG 4000, Sodium Acetate |
