9H9Z
Crystal structure of Cu(II)-bound LmrR_V15Bpy
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 | 2024-07-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.496, 53.359, 147.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.510 - 1.900 |
| R-factor | 0.2039 |
| Rwork | 0.202 |
| R-free | 0.23920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.162 |
| 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] | 34.510 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 2.315 |
| Rmeas | 0.076 | 2.517 |
| Rpim | 0.030 | 0.975 |
| Total number of observations | 146523 | 9231 |
| Number of reflections | 22559 | 1412 |
| <I/σ(I)> | 13.3 | 0.9 |
| Completeness [%] | 98.3 | |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.999 | 0.384 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 280 | malonate, imidazole, boric acid, PEG 3350 |
