9MDO
Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] resi 205-647)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9865 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 40.965, 99.558, 120.394 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.020 |
| R-factor | 0.1822 |
| Rwork | 0.180 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.784 |
| 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] | 46.000 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.149 | 1.617 |
| Number of reflections | 204537 | 8262 |
| <I/σ(I)> | 7.04 | 1.16 |
| Completeness [%] | 98.0 | 89.5 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.993 | 0.526 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 296 | 0.1 M Tris, pH 8.0, 0.1 M Potassium Bromide, 22% PEG 20,000 |
