7L4W
Crystal structure of human monoacylglycerol lipase in complex with compound 2d
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 92.623, 127.215, 135.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.590 - 2.200 |
| R-factor | 0.1883 |
| Rwork | 0.186 |
| R-free | 0.22110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zun |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.450 |
| 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 | 0.063 | 0.025 | |
| Rmeas | 0.065 | 0.027 | |
| Rpim | 0.027 | 0.010 | 0.465 |
| Total number of observations | 294040 | ||
| Number of reflections | 41130 | 2202 | 1943 |
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 99.8 | 99.4 | 97.1 |
| Redundancy | 7.1 | 6.9 | 5.2 |
| CC(1/2) | 0.999 | 0.837 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M NaOAc pH 5.5, 32-38% MPD |
