7OAM
Kinase domain of MERTK in complex with compound 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.487, 91.315, 69.680 |
Unit cell angles | 90.00, 100.78, 90.00 |
Refinement procedure
Resolution | 45.660 - 2.650 |
R-factor | 0.2235 |
Rwork | 0.222 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m3q |
RMSD bond length | 0.006 |
RMSD bond angle | 1.382 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.660 | 45.660 | 2.780 |
High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
Rmerge | 0.177 | 0.090 | 1.055 |
Rmeas | 0.194 | 0.098 | 1.158 |
Rpim | 0.079 | 0.040 | 0.469 |
Total number of observations | 3194 | 14387 | |
Number of reflections | 18384 | 528 | 2451 |
<I/σ(I)> | 6.2 | 13.3 | 1.8 |
Completeness [%] | 99.2 | 99.5 | 99.4 |
Redundancy | 5.9 | 6 | 5.9 |
CC(1/2) | 0.988 | 0.989 | 0.673 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 35% PEG 400, 0.2M MgCl2, 0.1M Tris |