8R7W
Kras G12D in complex with compound 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 193 |
Detector technology | PIXEL |
Collection date | 2013-10-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.900000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.720, 72.343, 54.514 |
Unit cell angles | 90.00, 103.45, 90.00 |
Refinement procedure
Resolution | 53.020 - 1.161 |
R-factor | 0.1798 |
Rwork | 0.179 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | autoPROC (1.1.7) |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8 (3-FEB-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.018 | 1.287 |
High resolution limit [Å] | 1.161 | 1.161 |
Rmerge | 0.031 | 0.644 |
Number of reflections | 71438 | 71438 |
<I/σ(I)> | 15.4 | 1.7 |
Completeness [%] | 93.1 | 70.8 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 53.4 % (v/v) 2-methyl-2,4-pentanediol and 0.05 M MES pH 6.4 |