6CMP
Closed structure of inactive SHP2 mutant C459E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.750, 84.910, 211.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.000 - 1.800 |
| R-factor | 0.2019 |
| Rwork | 0.201 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dgp |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.618 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.910 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.160 | |
| Rpim | 0.066 | 1.224 |
| Number of reflections | 91640 | 4202 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 99.4 | 93.9 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.994 | 0.214 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 200 mM lithium nitrate, 20% PEG 3,350 |
