5UB9
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni
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 | 2013-07-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.959 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.697, 79.926, 91.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.960 - 1.900 |
| R-factor | 0.19445 |
| Rwork | 0.193 |
| R-free | 0.24257 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | truncated chain of PDB 4YB5 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.582 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.960 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.321 |
| Number of reflections | 38485 | |
| <I/σ(I)> | 22.9 | 4.6 |
| Completeness [%] | 100.0 | 99.6 |
| Redundancy | 7.2 | 6.6 |
| CC(1/2) | 0.956 |
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, crystals grow from precipitate |
