6FA2
Antibody derived (Abd-5) small molecule binding to KRAS.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.230, 117.215, 156.446 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 93.810 - 2.600 |
| R-factor | 0.20455 |
| Rwork | 0.203 |
| R-free | 0.23301 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.702 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.810 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.058 | |
| Rmeas | 0.067 | |
| Rpim | 0.033 | 0.880 |
| Number of reflections | 36640 | |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 | |
| CC(1/2) | 0.995 | 0.748 |
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 |
