9BOH
Room-temperature X-ray structure of Thermus Thermophilus serine hydroxymethyltransferase (SHMT) with PLP-glycine external aldimine and 5-formyltetrahydrofolate (folinic acid)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2022-11-22 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.785, 83.344, 95.538 |
| Unit cell angles | 90.00, 91.72, 90.00 |
Refinement procedure
| Resolution | 27.850 - 2.000 |
| R-factor | 0.1317 |
| Rwork | 0.131 |
| R-free | 0.15470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.364 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.740 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.035 | 0.085 |
| Rpim | 0.024 | 0.059 |
| Number of reflections | 61808 | 4473 |
| <I/σ(I)> | 27.4 | 15.1 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 5.6 | 5.4 |
| CC(1/2) | 0.998 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289.15 | 40 mM NaOAc pH 5.5, 0.5 M Gly, 15% PEG 4000 |
