9FCP
OPR3 loop swap variant L6(AchrOYE4) in complex with NADH4
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 | 2023-07-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.190, 92.960, 89.710 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 45.440 - 2.000 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.546 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.440 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.178 | 1.829 |
| Number of reflections | 52186 | 2781 |
| <I/σ(I)> | 5.55 | |
| Completeness [%] | 96.5 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.994 | 0.311 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM Tris-HCl, 50 mM sodium tartrate, 16-20% PEG8000 |
