4GV1
PKB alpha in complex with AZD5363
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-11-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.852, 58.556, 150.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.550 - 1.490 |
| R-factor | 0.18243 |
| Rwork | 0.181 |
| R-free | 0.20978 |
| Structure solution method | OTHER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.550 | 1.530 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.077 | 0.434 |
| Number of reflections | 68595 | |
| <I/σ(I)> | 13.28 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | alcohol, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
