5UE1
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase in complex with adenine from Vibrio fischeri ES114
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-11-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.642, 72.915, 57.563 |
| Unit cell angles | 90.00, 109.60, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.140 |
| R-factor | 0.13059 |
| Rwork | 0.129 |
| R-free | 0.15785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dp9 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.002 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.160 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.060 | 0.570 |
| Number of reflections | 144464 | |
| <I/σ(I)> | 33.2 | 2.1 |
| Completeness [%] | 92.2 | 90.6 |
| Redundancy | 4.4 | 4 |
| CC(1/2) | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | 0.2 M CaCl2, 0.1 M HEPES, 20% PEG6000 |
