7R39
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Sulfolobus acidocaldarius in complex with adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 84.362, 88.364, 138.537 |
| Unit cell angles | 78.86, 74.85, 64.84 |
Refinement procedure
| Resolution | 46.160 - 2.500 |
| R-factor | 0.2318 |
| Rwork | 0.229 |
| R-free | 0.28170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h9u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.959 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.860 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.240 |
| Number of reflections | 107558 | 15731 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 89.3 | |
| Redundancy | 2.4 | |
| CC(1/2) | 0.990 | 0.936 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% (w/v) PEG 3350 with 200 mM ammonium iodide |
