29LK
High-resolution structure of human SHMT2 in complex with PLP-Ser (external aldimine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-01-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.021, 125.526, 134.691 |
| Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
| Resolution | 134.400 - 1.260 |
| R-factor | 0.2147 |
| Rwork | 0.214 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.866 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | DIMPLE |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 135.000 | 1.443 |
| High resolution limit [Å] | 1.257 | 1.257 |
| Rmerge | 0.129 | 1.207 |
| Rmeas | 0.139 | 1.297 |
| Number of reflections | 286591 | 14330 |
| <I/σ(I)> | 7.7 | 1.5 |
| Completeness [%] | 92.5 | 81.9 |
| Redundancy | 7.1 | 7.5 |
| CC(1/2) | 0.991 | 0.511 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 70 mM Tris pH 8.5, 4.375% PEG 2000, 4.375% PEG 3350, 4.375% PEG 4000, 4.375% PEG methyl ether 5000, 10% ethylene glycol, 20 mM serine |
