9H4V
Crystal structure of the adduct formed upon reaction of aurothiomalate with human serum transferrin (apo-form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-11 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.472, 99.714, 198.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.250 - 3.020 |
| R-factor | 0.24578 |
| Rwork | 0.243 |
| R-free | 0.29650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.250 | 3.070 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Number of reflections | 33617 | 1641 |
| <I/σ(I)> | 7.8 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.4 |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% w/v PEG 3350 and 200 mM trisodium citrate |
