4RLP
Human p70s6k1 with ruthenium-based inhibitor FL772
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 | C 2 2 21 |
Unit cell lengths | 62.130, 126.371, 110.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.910 - 2.790 |
R-factor | 0.2075 |
Rwork | 0.206 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a62 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.032 |
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] | 29.910 | 2.893 |
High resolution limit [Å] | 2.790 | 2.794 |
Number of reflections | 10829 | |
<I/σ(I)> | 2 | |
Completeness [%] | 97.1 | 97.06 |
Redundancy | 4.4 | 4.2 |
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 |