6FA1
Antibody derived (Abd-4) small molecule binding to KRAS.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.610, 118.600, 156.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 65.350 - 1.970 |
| R-factor | 0.18232 |
| Rwork | 0.181 |
| R-free | 0.20745 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5oco |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.940 |
| Data reduction software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.350 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.170 | |
| Rmeas | 0.177 | |
| Rpim | 0.049 | 0.493 |
| Number of reflections | 84404 | 5998 |
| <I/σ(I)> | 13 | 1.6 |
| Completeness [%] | 99.8 | 97.7 |
| Redundancy | 12.9 | 9.3 |
| CC(1/2) | 0.990 | 0.473 |
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 |
