8Q61
Co-crystal structure of human AKT2 with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-03 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.667, 113.885, 73.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.490 - 2.320 |
| R-factor | 0.21167 |
| Rwork | 0.209 |
| R-free | 0.26340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.547 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MERLOT |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.490 | 2.570 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.057 | 0.441 |
| Number of reflections | 22371 | 1613 |
| <I/σ(I)> | 0 | |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 4.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M MES, 1.5 M NaH2PO4 |
