9UAL
Crystal structure of Trimucrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 07A |
| Synchrotron site | NSRRC |
| Beamline | TPS 07A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.954, 58.397, 42.871 |
| Unit cell angles | 90.00, 90.27, 90.00 |
Refinement procedure
| Resolution | 29.220 - 1.680 |
| Rwork | 0.174 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.449 |
| Data reduction software | XDS (20230630) |
| Data scaling software | XDS (20230630) |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 15133 | 2378 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.996 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.3M Zinc acetate, 25% PEG 3350, 0.1M Cacodylate, 5% Ethylene glycol |
