8P1G
Crystal structure of inactive TtCE16 in complex with acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.542, 82.542, 101.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.310 - 1.420 |
| R-factor | 0.16792 |
| Rwork | 0.167 |
| R-free | 0.18251 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.270 | 1.440 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Number of reflections | 75553 | 3741 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 9.7 | |
| CC(1/2) | 1.000 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | NaI, PEG 3350, Bis-Tris propane |
