6E6F
KRAS G13D bound to GppNHp (K13GNP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 173.15 |
Detector technology | IMAGE PLATE |
Collection date | 2015-02-03 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.486, 39.096, 89.319 |
Unit cell angles | 90.00, 124.37, 90.00 |
Refinement procedure
Resolution | 36.100 - 3.401 |
R-factor | 0.187 |
Rwork | 0.182 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.375 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
Rmerge | 0.140 | 0.067 | 0.412 |
Rmeas | 0.160 | 0.075 | 0.542 |
Rpim | 0.074 | 0.033 | 0.348 |
Total number of observations | 22660 | ||
Number of reflections | 4526 | 362 | 163 |
<I/σ(I)> | 6.6 | ||
Completeness [%] | 97.0 | 95.5 | 46 |
Redundancy | 3.7 | 4.3 | 1.6 |
CC(1/2) | 0.986 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291.15 | 5 mM Sodium acetate, 91 mM sodium citrate tribasic, 183 mM Ammonium acetate, 27.2% PEG 4000, 4.3% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), crystals grown 1uL by 1uL mother liquor to protein (22mg/mL), No cryoprotectant was used for diffraction |