4YB5
Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with the allosteric inhibitor histidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.959 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.137, 123.216, 95.701 |
| Unit cell angles | 90.00, 110.66, 90.00 |
Refinement procedure
| Resolution | 48.040 - 2.240 |
| R-factor | 0.21035 |
| Rwork | 0.209 |
| R-free | 0.23907 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h3d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.477 |
| 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] | 48.040 | 2.280 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.093 | 0.795 |
| Number of reflections | 94235 | |
| <I/σ(I)> | 2 | 2 |
| Completeness [%] | 99.0 | 89.7 |
| Redundancy | 5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | Potassium Thiocyanate, BTP, PEG3350, histidine |
