32JA
Structure of the pathogenic variant T186R of Human SHMT2 in the apo open dimeric conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.532, 74.469, 75.002 |
| Unit cell angles | 90.00, 108.53, 90.00 |
Refinement procedure
| Resolution | 40.780 - 2.200 |
| R-factor | 0.20675 |
| Rwork | 0.205 |
| R-free | 0.23175 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.280 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.063 | 0.529 |
| Rmeas | 0.069 | 0.589 |
| Rpim | 0.027 | 0.252 |
| Total number of observations | 147730 | 6722 |
| Number of reflections | 23332 | 1274 |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 93.0 | |
| Redundancy | 6.3 | 5.3 |
| CC(1/2) | 0.998 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | MORPHUES screen (Molecular Dimensions), condition E5. |
