9MDK
Crystal Structure of E64-inhibited C0362 (TDE_0362 [TDE0362] resi 205-647)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 41.684, 99.366, 121.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.850 - 1.930 |
| R-factor | 0.1874 |
| Rwork | 0.185 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.861 |
| Data reduction software | DIALS (2.2.10) |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.850 | 1.950 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.137 | 1.535 |
| Number of reflections | 250587 | 1323 |
| <I/σ(I)> | 9.85 | 2.22 |
| Completeness [%] | 98.5 | 87 |
| Redundancy | 6.5 | 5.3 |
| CC(1/2) | 0.889 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 296 | 0.1 M Tris, pH 8.0, 100 mM Potassium Bromide, 20% PEG 20,000 |
