5TEH
c-Src V281C kinase domain in complex with Rao-IV-156
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.790, 63.590, 76.070 |
| Unit cell angles | 76.73, 89.93, 89.79 |
Refinement procedure
| Resolution | 74.040 - 2.990 |
| R-factor | 0.3069 |
| Rwork | 0.304 |
| R-free | 0.36590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5swh |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.027 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.040 | 74.040 | 3.180 |
| High resolution limit [Å] | 3.000 | 9.000 | 3.000 |
| Rmerge | 0.168 | 0.078 | 0.310 |
| Rmeas | 0.202 | 0.093 | 0.365 |
| Rpim | 0.111 | 0.050 | 0.192 |
| Total number of observations | 41021 | 1601 | 7188 |
| Number of reflections | 12160 | ||
| <I/σ(I)> | 6 | 9.2 | 3.2 |
| Completeness [%] | 79.8 | 82.8 | 83.6 |
| Redundancy | 3.4 | 3.4 | 3.5 |
| CC(1/2) | 0.893 | 0.970 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | 100 mM MES pH 6.3, 40 mM NaOAc, 8% PEG3350, 10% glycerol, 10 mM DTT |
