6SW5
Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-29 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 218.684, 61.000, 119.762 |
| Unit cell angles | 90.00, 90.55, 90.00 |
Refinement procedure
| Resolution | 58.760 - 2.350 |
| R-factor | 0.1908 |
| Rwork | 0.188 |
| R-free | 0.23870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2obv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.426 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.760 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.127 | 0.580 |
| Rmeas | 0.150 | 0.686 |
| Rpim | 0.080 | 0.365 |
| Number of reflections | 66266 | 4425 |
| <I/σ(I)> | 6.4 | 1.9 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.991 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 200 mM NaF, 20 % PEG 3350 and 15 % ethylene glycol |
