7Q9S
Crystal structure of PDE6D KRas peptide complex with Compound-1
This is a non-PDB format compatible entry.
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 | 2018-10-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.104, 81.123, 118.514 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.657 - 1.850 |
| Rwork | 0.199 |
| R-free | 0.22730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tb5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.379 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.657 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 32070 | 2320 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.4 | |
| CC(1/2) | 0.999 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Lithium sulphate, 0.1M Tris pH 8.5 and 20% PEG 3000 |
