7NY8
Affimer K69 - KRAS protein complex
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 | 2020-10-15 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.008, 168.775, 39.653 |
Unit cell angles | 90.00, 92.70, 90.00 |
Refinement procedure
Resolution | 84.530 - 1.800 |
R-factor | 0.1568 |
Rwork | 0.154 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4obe 4n6t |
RMSD bond length | 0.005 |
RMSD bond angle | 1.314 |
Data reduction software | DIALS (3.1.3) |
Data scaling software | DIALS (3.1.3) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 168.770 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.072 | 0.734 |
Rmeas | 0.078 | 0.794 |
Rpim | 0.030 | 0.300 |
Number of reflections | 47236 | 2336 |
<I/σ(I)> | 19.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.9 | 6.9 |
CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1M imidazole, 0.1M MES monohydrate, 20% w/v PEG 500 MME, 10% w/v PEG 20000, 0.12M 1,6-hexanediol, 0.12M 1,2-propanediol, 0.12M 1,4-butanediol, 0.12M 1-butanol, 0.12M 2-propanol, 0.12M 1,3-propanediol |