7MPH
GRB2 SH2 Domain with Compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 291 |
| Detector technology | PIXEL |
| Collection date | 2020-08-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.885, 87.102, 136.413 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.830 - 2.000 |
| R-factor | 0.2331 |
| Rwork | 0.231 |
| R-free | 0.27730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cj1 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.320 | 47.320 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.095 | 0.032 | 3.289 |
| Rmeas | 0.103 | 0.035 | 3.565 |
| Rpim | 0.040 | 0.014 | 1.366 |
| Total number of observations | 336368 | 3888 | 24984 |
| Number of reflections | 50672 | 659 | 3702 |
| <I/σ(I)> | 9.8 | 40.7 | 0.6 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 6.6 | 5.9 | 6.7 |
| CC(1/2) | 0.999 | 0.999 | 0.445 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 12.4mg/mL GRB2 SH2 domain, 0.1mM Bis-Tris pH 5.5, 2M Ammonium Sulphate |
