6AYQ
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-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 | 2016-12-06 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.130, 90.092, 67.826 |
| Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
| Resolution | 65.650 - 1.420 |
| R-factor | 0.17233 |
| Rwork | 0.172 |
| R-free | 0.18533 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wkn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.386 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.650 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Number of reflections | 81192 | 4310 |
| <I/σ(I)> | 15.4 | 2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.990 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Bis-Tris pH 6.5, 28% (w/v) PEG MME 2000 |
