9BOX
Room-temperature X-ray structure of human mitochondrial serine hydroxymethyltransferase (hSHMT2) 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 | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 142.980, 119.300, 134.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.820 - 2.100 |
| R-factor | 0.1636 |
| Rwork | 0.162 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.973 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.113 | 0.739 |
| Rpim | 0.062 | 0.427 |
| Number of reflections | 125654 | 6402 |
| <I/σ(I)> | 12.9 | 2.2 |
| Completeness [%] | 93.4 | |
| Redundancy | 4.4 | 4.1 |
| CC(1/2) | 0.987 | 0.483 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293.15 | 0.5 M Gly pH 8.6, 10 mM folinic acid, 18% PEG 3350 |
