8EER
KRAS4B A146V 1-185 bound to GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-20 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97817 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 78.181, 78.181, 55.767 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.770 - 1.180 |
R-factor | 0.1547 |
Rwork | 0.154 |
R-free | 0.17180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4obe |
RMSD bond length | 0.008 |
RMSD bond angle | 1.124 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.770 | 1.227 |
High resolution limit [Å] | 1.180 | 1.184 |
Rmerge | 0.077 | 0.799 |
Rmeas | 0.081 | 0.865 |
Rpim | 0.025 | 0.321 |
Number of reflections | 63328 | 5910 |
<I/σ(I)> | 15.72 | 2.08 |
Completeness [%] | 99.3 | 93.06 |
Redundancy | 10.3 | 6.7 |
CC(1/2) | 0.999 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 22% PEG3350, 200 mM lithium citrate, 10 mM Tris-HCl pH 8, 20 mM NaCl, 2 mM DTT, 1 mM magnesium chloride, 10 uM GDP, 12.8 mg/mL KRAS4B A146V |