5CB6
Structure of adenosine-5'-phosphosulfate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.904, 109.681, 100.807 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 40.340 - 2.790 |
| R-factor | 0.167 |
| Rwork | 0.164 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fxp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.400 | 2.840 |
| High resolution limit [Å] | 2.786 | 2.790 |
| Rmerge | 0.148 | 0.823 |
| Number of reflections | 37195 | |
| <I/σ(I)> | 14.8 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M sodium cacodylate trihydrate, pH 6.5, 0.2 M magnesium acetate tetrahydrate, 20% PEG 8000, 5 mM adenosine-5'-phosphosulfate, 5 mM beta, gamma-imidoadenosine-5'-triphosphate |
