6ICG
Grb2 SH2 domain in phosphopeptide free form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 183 |
| Detector technology | CCD |
| Collection date | 2016-05-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.550, 79.550, 69.635 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.580 - 1.150 |
| R-factor | 0.1449 |
| Rwork | 0.144 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wa4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.355 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 77235 | 11265 |
| <I/σ(I)> | 27.9 | 2.7 |
| Completeness [%] | 97.2 | 88.9 |
| Redundancy | 13.8 | 11.8 |
| CC(1/2) | 1.000 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Sodium chloride, 0.1 M HEPES (pH 7.5), 1.6 M Ammonium sulfate |
