8JYG
Crystal structure of Human HPSE1 in complex with inhibitor
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 | 2018-12-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.380, 71.049, 78.280 |
| Unit cell angles | 90.00, 98.09, 90.00 |
Refinement procedure
| Resolution | 43.977 - 2.000 |
| Rwork | 0.166 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e8m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.582 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.500 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 32623 | 2388 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.993 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 25% w/v Polyethylene glycol 3,350, 100 mM BIS-TRIS pH 5.5 |
