6T5V
KRasG12C ligand complex
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 | 2015-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.421, 51.135, 90.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.090 - 1.310 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house structure |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.090 | 1.350 |
High resolution limit [Å] | 1.310 | 1.320 |
Rmerge | 0.047 | 0.590 |
Number of reflections | 45042 | 2878 |
<I/σ(I)> | 20.9 | 2.4 |
Completeness [%] | 98.7 | 88.3 |
Redundancy | 5.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50mM HEPES 100mM NaCl 2mM MgSO4 |