9BAJ
Crystal structure of GDP-bound human K-RAS in a covalent complex with aryl sulfonyl fluoride compounds.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2021-10-21 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0722 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.925, 83.827, 104.788 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.430 - 1.490 |
| R-factor | 0.239 |
| Rwork | 0.237 |
| R-free | 0.26960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.983 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.430 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmeas | 0.083 | 0.954 |
| Rpim | 0.044 | 0.538 |
| Number of reflections | 100461 | 4856 |
| <I/σ(I)> | 10.3 | 1 |
| Completeness [%] | 99.6 | 97 |
| Redundancy | 3.5 | 3 |
| CC(1/2) | 0.998 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Ammonium chloride 0.2 M and PEG 3350 20% |
