6FA3
Antibody derived (Abd-6) small molecule binding to KRAS.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.390, 118.480, 156.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.230 - 1.820 |
R-factor | 0.18479 |
Rwork | 0.184 |
R-free | 0.20696 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5oco |
RMSD bond length | 0.018 |
RMSD bond angle | 1.951 |
Data reduction software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.390 | 1.870 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.106 | |
Rpim | 0.749 | |
Number of reflections | 105955 | |
<I/σ(I)> | 15.5 | 1.5 |
Completeness [%] | 99.8 | |
Redundancy | 12.3 | |
CC(1/2) | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 8-15% w/v Polyethylene glycol 3350 and 0.2M lithium citrate |