6CCY
Crystal structure of Akt1 in complex with a selective inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.664, 66.961, 109.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.180 |
| R-factor | 0.2373 |
| Rwork | 0.235 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | MOSFLM (7.0.5) |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.940 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.576 | |
| Rpim | 0.340 | |
| Number of reflections | 19614 | |
| <I/σ(I)> | 12.1 | |
| Completeness [%] | 99.5 | |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 16% PEG 3350 and 200mM Ammonium Formate |
