9G4M
Crystal structure of monoacylglycerol lipase with BODIPY labeled probe
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.885603 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 88.896, 127.245, 62.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.160 - 1.410 |
| R-factor | 0.1586 |
| Rwork | 0.157 |
| R-free | 0.18460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.838 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.870 | 1.500 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.093 | 0.990 |
| Number of reflections | 68084 | 11347 |
| <I/σ(I)> | 8.97 | |
| Completeness [%] | 99.9 | |
| Redundancy | 10.36 | |
| CC(1/2) | 0.997 | 0.552 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 8 %v/v 1-Propan 0.1 M MES pH 6.5 12 %w/v PEG MME 5K |
