4RLO
Human p70s6k1 with ruthenium-based inhibitor EM5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.515, 62.882, 86.718 |
| Unit cell angles | 90.00, 94.02, 90.00 |
Refinement procedure
| Resolution | 49.030 - 2.527 |
| R-factor | 0.193 |
| Rwork | 0.192 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a62 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.249 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1066)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.030 | 2.618 |
| High resolution limit [Å] | 2.527 | 2.527 |
| Number of reflections | 28440 | |
| <I/σ(I)> | 4.1 | |
| Completeness [%] | 99.7 | 97.1 |
| Redundancy | 3.9 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | 0.1M Tris, 3.5M Sodium Formate, with staurosporine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
