6AYS
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-22 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.367, 75.288, 90.437 |
| Unit cell angles | 87.54, 89.05, 71.13 |
Refinement procedure
| Resolution | 90.350 - 1.700 |
| R-factor | 0.23119 |
| Rwork | 0.230 |
| R-free | 0.24786 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wkn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.350 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 179940 | 8786 |
| <I/σ(I)> | 8.1 | 2.1 |
| Completeness [%] | 97.3 | 95.7 |
| Redundancy | 4.2 | 4.3 |
| CC(1/2) | 0.990 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 100 mM Bis-Tris pH 5.5, 200 mM Magnesium Chloride, 25% (w/v) PEG 3350 |
