5UBH
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2013-11-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.959 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.166, 79.921, 92.245 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.948 - 2.000 |
| R-factor | 0.20928 |
| Rwork | 0.207 |
| R-free | 0.25695 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | single chain of PDB 5UB9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.562 |
| 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] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.549 |
| Number of reflections | 33714 | |
| <I/σ(I)> | 13.6 | 3.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.9 | 8.1 |
| CC(1/2) | 0.998 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 0.1 M sodium acetate pH 5.0, 0.01 M ZnCl2, 7-10% PEG 6000 formed crystals were soaked with 3 mM ATP for 30-60 min |
