7RPZ
KRAS G12D in complex with MRTX-1133
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.868, 51.757, 89.611 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.430 - 1.300 |
R-factor | 0.1499 |
Rwork | 0.149 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uto |
RMSD bond length | 0.019 |
RMSD bond angle | 1.618 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 45402 | 2100 |
<I/σ(I)> | 22.9 | 7.2 |
Completeness [%] | 97.4 | 91.6 |
Redundancy | 3.3 | 2.9 |
CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Sodium Citrate pH 4.2,29% PEG 8K, 200 mM Ammonium Acetate |