6SF0
Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 in the presence of NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-22 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.750, 148.678, 139.119 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 138.000 - 3.010 |
| R-factor | 0.21431 |
| Rwork | 0.211 |
| R-free | 0.28500 |
| 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] | 138.000 | 3.340 |
| High resolution limit [Å] | 3.010 | 3.010 |
| Rmerge | 0.145 | 0.737 |
| Number of reflections | 32052 | 2290 |
| <I/σ(I)> | 5.3 | 1.5 |
| Completeness [%] | 92.4 | 64.1 |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.986 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 4000, HEPES |
