4RPU
Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 245.624, 85.490, 158.214 |
| Unit cell angles | 90.00, 127.53, 90.00 |
Refinement procedure
| Resolution | 44.853 - 2.265 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.972 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 119317 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 291 | 15.0% PEG 8000, 15 mM TCEP, 80 mM sodium cacodylate pH 6.7, 160 mM calcium acetate, 20% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
