5W3R
SH2B1 SH2 Domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.010, 52.750, 60.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.365 - 1.386 |
| R-factor | 0.1455 |
| Rwork | 0.144 |
| R-free | 0.16780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Solved using a previous poor-resolution unpublished structure which in turn was solved using 2HDV as a model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.750 | 52.750 | 1.460 |
| High resolution limit [Å] | 1.386 | 4.380 | 1.390 |
| Rmerge | 0.067 | 0.325 | |
| Rmeas | 0.091 | 0.074 | 0.356 |
| Rpim | 0.035 | 0.029 | 0.143 |
| Total number of observations | 127670 | ||
| Number of reflections | 19492 | ||
| <I/σ(I)> | 14.2 | 7 | 2.3 |
| Completeness [%] | 99.5 | 99.4 | 98.1 |
| Redundancy | 6.5 | 6.2 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 277 | PEG 3350, potassium sulfate, phenol |
