4MB2
Crystal structure of TON1374 in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-26 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 266.428, 60.909, 75.241 |
| Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
| Resolution | 37.620 - 2.190 |
| R-factor | 0.2043 |
| Rwork | 0.201 |
| R-free | 0.26040 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.083 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Number of reflections | 60918 | |
| Completeness [%] | 97.8 | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 0.08M Tris-HCl, 24%(w/v) polyethylene glycol 4000, 4mM ATP, pH 8.5, VAPOR DIFFUSION, temperature 295K |
