7G91
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1509257513
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | DIAMOND |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.294, 71.294, 196.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.210 - 2.292 |
| R-factor | 0.2038 |
| Rwork | 0.201 |
| R-free | 0.25290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8bnt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (17-FEB-2023)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.010 | 67.010 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
| Rmerge | 0.409 | 0.068 | 3.309 |
| Rmeas | 0.417 | 0.070 | 3.373 |
| Rpim | 0.081 | 0.015 | 0.649 |
| Total number of observations | 616911 | 9923 | 60296 |
| Number of reflections | 23777 | ||
| <I/σ(I)> | 6.9 | 34.6 | 0.8 |
| Completeness [%] | 99.9 | 100 | 99.3 |
| Redundancy | 25.9 | 19.4 | 26.7 |
| CC(1/2) | 0.995 | 0.999 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris, 2.6M sodium formate |
