9F8A
Crystal structure of human monoacylglycerol lipase in complex with compound 7a
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99976 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.877, 127.166, 62.672 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.660 - 1.560 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 1.660 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.090 | 0.910 |
| Number of reflections | 51245 | 8579 |
| <I/σ(I)> | 9.13 | |
| Completeness [%] | 99.6 | |
| Redundancy | 7.37 | |
| CC(1/2) | 0.999 | 0.348 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES, pH 6.5 6 %w/v PEG MME 5K 12 %v/v iso-propanol |
