7G8B
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z100643660
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 | 2022-10-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 71.469, 71.469, 196.632 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.530 - 1.420 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21610 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 8bnt |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.030 |
| 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] | 35.730 | 35.730 | 1.440 |
| High resolution limit [Å] | 1.420 | 7.780 | 1.420 |
| Rmerge | 0.154 | 0.046 | 4.600 |
| Rmeas | 0.157 | 0.047 | 4.773 |
| Rpim | 0.031 | 0.010 | 1.252 |
| Total number of observations | 2300256 | 15021 | 66276 |
| Number of reflections | 96876 | ||
| <I/σ(I)> | 11.7 | 67.6 | 0.4 |
| Completeness [%] | 99.9 | 99.3 | 98.3 |
| Redundancy | 23.7 | 20.5 | 14.2 |
| CC(1/2) | 0.999 | 0.999 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris, 2.6M sodium formate |
