9SUV
Structure of an inhibitor of Human TGF-beta Type I Receptor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.160, 61.690, 91.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.800 - 1.500 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.800 | 1.519 |
| High resolution limit [Å] | 1.469 | 1.469 |
| Rmerge | 0.066 | 1.199 |
| Rmeas | 0.072 | 1.313 |
| Rpim | 0.029 | 0.530 |
| Number of reflections | 44637 | 2233 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 92.4 | 49.1 |
| Redundancy | 6.4 | 5.9 |
| CC(1/2) | 0.998 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2 M potassium thiocyanate 20 % w/v PEG 3350 |
