6FA4
Antibody derived (Abd-7) 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 | 2016-11-28 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.966 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.704, 118.619, 157.329 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.060 - 2.020 |
| R-factor | 0.20191 |
| Rwork | 0.200 |
| R-free | 0.23234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oco |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.900 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.060 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.089 | 0.589 |
| Rmeas | 0.101 | 0.669 |
| Rpim | 0.047 | 0.311 |
| Number of reflections | 73612 | 3782 |
| <I/σ(I)> | 10.9 | 2.7 |
| Completeness [%] | 95.0 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.995 | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 8-15% w/v Polyethylene glycol 3350 and 0.2M Lithium citrate |
