7YI7
Crystal structure of Human HPSE1 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.974, 60.090, 78.423 |
| Unit cell angles | 90.00, 89.16, 90.00 |
Refinement procedure
| Resolution | 21.730 - 2.800 |
| R-factor | 0.2163 |
| Rwork | 0.213 |
| R-free | 0.28125 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5e8m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.483 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.730 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 11532 | 1661 |
| <I/σ(I)> | 6.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 5.1 | |
| CC(1/2) | 0.983 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4 | 293 | 12% w/v Polyethylene glycol 3,350, 100 mM Sodium malonate pH 4.0 |
