6F76
Antibody derived (Abd-8) small molecule binding to KRAS.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.190, 118.424, 156.751 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.490 - 2.200 |
| R-factor | 0.22698 |
| Rwork | 0.226 |
| R-free | 0.24915 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.698 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.490 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.151 | 0.780 |
| Rmeas | 0.193 | 0.990 |
| Rpim | 0.119 | 0.610 |
| Number of reflections | 65992 | 2888 |
| <I/σ(I)> | 5 | 1.8 |
| Completeness [%] | 99.2 | 87.3 |
| Redundancy | 4.5 | 4.8 |
| CC(1/2) | 0.985 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate |
