7EM3
Crystal structure of the PI5P4Kbeta-2a-ATP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-11-17 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 109.818, 185.947, 106.238 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.120 - 3.100 |
| R-factor | 0.2148 |
| Rwork | 0.213 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6k4h |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.064 | 0.896 |
| Number of reflections | 20095 | 2925 |
| <I/σ(I)> | 24.55 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.8 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 9%(w/v) PEG4000, 0.1 M sodium citrate pH 6.0, 0.1 M magnesium acetate, 0.1 M lithium acetate |
