7X5N
Crystal structure of E. faecium SHMT in complex with (+)-SHIN-1 and PLP-Ser
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.350, 119.350, 162.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.350 - 1.900 |
| R-factor | 0.1752 |
| Rwork | 0.174 |
| R-free | 0.19740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.991 |
| Data reduction software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.350 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.261 | 3.249 |
| Rpim | 0.051 | 0.614 |
| Number of reflections | 92734 | 9141 |
| <I/σ(I)> | 14.3 | 1 |
| Completeness [%] | 99.9 | 99.95 |
| Redundancy | 26.8 | 27.8 |
| CC(1/2) | 0.999 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.1M HEPES pH 7.5, 1.4M Sodium citrate tribasic dihydrate |
