6ASA
KRAS mutant-D33E in GDP-bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.527, 47.075, 90.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.672 - 2.545 |
R-factor | 0.1938 |
Rwork | 0.186 |
R-free | 0.26370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4obe |
RMSD bond length | 0.017 |
RMSD bond angle | 0.977 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.545 | 6.920 | 2.550 |
Rmerge | 0.159 | 0.072 | 0.574 |
Rmeas | 0.179 | 0.082 | 0.681 |
Rpim | 0.080 | 0.037 | 0.356 |
Number of reflections | 4713 | 271 | 148 |
<I/σ(I)> | 7 | ||
Completeness [%] | 90.3 | 87.4 | 60.4 |
Redundancy | 4.1 | 4.6 | 2.8 |
CC(1/2) | 0.991 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.1 M Tris pH 8.5, 200 mM MgCl2, 25 % PEG 3350 |