9H9W
Crystal structure of metal-free LmrR_V15Bpy in an open state
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 | 2024-04-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.219, 34.955, 66.450 |
| Unit cell angles | 90.00, 97.05, 90.00 |
Refinement procedure
| Resolution | 51.720 - 2.260 |
| R-factor | 0.2299 |
| Rwork | 0.226 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.985 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.720 | 2.330 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.047 | 0.584 |
| Rmeas | 0.054 | 0.744 |
| Rpim | 0.026 | 0.455 |
| Total number of observations | 33732 | 1054 |
| Number of reflections | 9720 | 509 |
| <I/σ(I)> | 13.1 | 1.6 |
| Completeness [%] | 85.1 | |
| Redundancy | 3.5 | 2.1 |
| CC(1/2) | 0.999 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | sodium acetate, Bis-Tris propane, PEG 3350 |
