7RP2
Crystal structure of Kas G12C in complex with 2H11 CLAMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2018-02-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999999 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 149.918, 68.796, 101.002 |
Unit cell angles | 90.00, 114.08, 90.00 |
Refinement procedure
Resolution | 48.490 - 2.200 |
R-factor | 0.2084 |
Rwork | 0.208 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dsu 3r1g |
RMSD bond length | 0.004 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.28) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.490 | 48.490 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.075 | 0.042 | 0.969 |
Rmeas | 0.082 | 0.045 | 1.048 |
Rpim | 0.032 | 0.018 | 0.396 |
Total number of observations | 9890 | 48051 | |
Number of reflections | 92744 | 1558 | 6921 |
<I/σ(I)> | 11.6 | 30.5 | 1.8 |
Completeness [%] | 99.8 | 98.4 | 100 |
Redundancy | 6.7 | 6.3 | 6.9 |
CC(1/2) | 0.999 | 0.999 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M sodium cacodylate pH 6.5, 40% 2-methyl 2,4-pentanediol (MPD), 7% PEG 8000, 0.5% ethyl acetate, 10 mM spermine tetrahydrochloride |