6CCZ
Crystal structure of Medicago truncatula serine hydroxymethyltransferase 3 (MtSHMT3) soaked with selenourea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-07 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9778 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.675, 199.686, 152.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.530 - 2.140 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.20600 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.586 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.270 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.078 | 0.550 |
| Rmeas | 0.085 | 0.880 |
| Number of reflections | 52956 | 7076 |
| <I/σ(I)> | 19.7 | 3.7 |
| Completeness [%] | 96.9 | 81.1 |
| Redundancy | 6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 55% Tacsimate pH 7.0; for SAD phasing crystals were transferred into a drop of 100% Tacsimate pH 7.0 with a single crystal of selenourea and soaked for 15 min |
