7R37
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pyrococcus furiosus in complex with inosine
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 | 2020-12-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 112.531, 112.531, 122.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.620 - 2.280 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5axa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| 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] | 48.620 | 2.410 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.150 | |
| Number of reflections | 36380 | 5179 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 99.8 | |
| Redundancy | 12.7 | |
| CC(1/2) | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | comprising 26% (w/v) PEG 1500 with 100 mM MMT, pH 8.0 |
