7G92
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172
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 | 2022-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.030, 71.030, 196.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.520 - 1.872 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.23740 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8bnt |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (17-FEB-2023)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.780 | 66.780 | 1.970 |
| High resolution limit [Å] | 1.870 | 5.920 | 1.870 |
| Rmerge | 0.525 | 0.084 | 7.076 |
| Rmeas | 0.535 | 0.086 | 7.207 |
| Rpim | 0.103 | 0.018 | 1.360 |
| Total number of observations | 1128906 | 33402 | 169056 |
| Number of reflections | 42493 | ||
| <I/σ(I)> | 7.3 | 26.3 | 0.7 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 26.6 | 21.5 | 27.8 |
| CC(1/2) | 0.996 | 0.999 | 0.527 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris, 2.6M sodium formate |
