7L4T
Crystal structure of human monoacylglycerol lipase in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.818, 127.378, 136.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.770 - 2.200 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zun |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.227 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.100 | 0.032 | 0.968 |
| Rmeas | 0.097 | 0.034 | |
| Rpim | 0.040 | 0.013 | 0.436 |
| Total number of observations | 289576 | ||
| Number of reflections | 40679 | 2179 | 1988 |
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 99.8 | 99.6 | 98 |
| Redundancy | 7.1 | 7.1 | 5.4 |
| CC(1/2) | 0.999 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M NaOAc pH 5.5, 32-38% MPD |
