9VNG
Small GTPase RhoA Y42C mutant in complex with covalent inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-07 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.040, 63.500, 82.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.660 - 1.430 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.993 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.660 | 1.470 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.058 | 0.679 |
| Number of reflections | 31655 | 2169 |
| <I/σ(I)> | 25.6 | |
| Completeness [%] | 99.0 | |
| Redundancy | 12.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289.15 | 0.2 M Ammonium acetate, 0.1 M Sodium acetate trihydrate pH 4.6, 30% w/v Polyethylene glycol 4000 |
