5O2T
Human KRAS in complex with darpin K27
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 | 2016-02-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 |
Unit cell lengths | 112.830, 112.830, 66.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.410 - 2.190 |
R-factor | 0.18407 |
Rwork | 0.182 |
R-free | 0.22892 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.612 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.410 | 2.250 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.074 | 0.716 |
Number of reflections | 15629 | 903 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 95.7 | 74.4 |
Redundancy | 4.6 | 2.5 |
CC(1/2) | 0.998 | 0.477 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 18% (w/v) PEG8000, 200mM calcium acetate, 100mM sodium cacodylate pH 6.5 |