7X5O
Crystal structure of E. faecium SHMT in complex with Me-THF and PLP-Gly
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 | 126.981, 126.981, 170.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.940 - 2.620 |
R-factor | 0.1557 |
Rwork | 0.154 |
R-free | 0.19430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7v3d |
RMSD bond length | 0.008 |
RMSD bond angle | 1.007 |
Data reduction software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.940 | 2.714 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmeas | 0.659 | 3.464 |
Rpim | 0.127 | 0.655 |
Number of reflections | 42482 | 4171 |
<I/σ(I)> | 13.66 | 1.49 |
Completeness [%] | 99.9 | |
Redundancy | 27 | |
CC(1/2) | 0.997 | 0.540 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 0.1M sodium cacodylate/hydrochloric acid pH 6.5, 2M ammonium sulfate, 0.2M sodium chloride |