5ZUN
Crystal structure of human monoacylglycerol lipase in complex with compound 3l
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 95.149, 127.224, 60.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.350 |
| R-factor | 0.14758 |
| Rwork | 0.147 |
| R-free | 0.16008 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pe6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.603 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 78596 | 3064 |
| <I/σ(I)> | 22.6 | 1.5 |
| Completeness [%] | 98.0 | 77.3 |
| Redundancy | 6.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1M Bis-Tris, 10% PEG3350 |
