9O50
Room-temperature X-ray structure of Thermus thermophilus SHMT in complex with tetrahydrofolate (THF)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2024-03-15 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.918, 83.447, 95.294 |
| Unit cell angles | 90.00, 91.62, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.800 |
| R-factor | 0.1454 |
| Rwork | 0.144 |
| R-free | 0.17500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.228 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.260 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.092 | 0.369 |
| Rpim | 0.059 | 0.309 |
| Number of reflections | 84515 | 8255 |
| <I/σ(I)> | 16.1 | 2.1 |
| Completeness [%] | 98.9 | 96.6 |
| Redundancy | 3.1 | 1.9 |
| CC(1/2) | 0.967 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 40 mM sodium acetate pH 5.5, 1M ammonium sulfate and 0.5 M lithium sulfate |
