9H9Y
Crystal structure of metal-free LmrR_V15Bpy variant BVS in a closed 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 | P 43 21 2 |
| Unit cell lengths | 35.039, 35.039, 166.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.290 - 1.500 |
| R-factor | 0.2113 |
| Rwork | 0.208 |
| R-free | 0.28230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.983 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.290 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.063 | 3.178 |
| Rmeas | 0.064 | 3.256 |
| Rpim | 0.013 | 0.692 |
| Total number of observations | 414448 | 17282 |
| Number of reflections | 17381 | 813 |
| <I/σ(I)> | 21.3 | 1 |
| Completeness [%] | 98.6 | |
| Redundancy | 23.8 | 21.3 |
| CC(1/2) | 1.000 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | sodium nitrate, Bis-Tris propane, PEG 3350 |
