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 |