7AAX
Crystal structure of MerTK kinase domain in complex with LDC1267
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.725, 92.787, 70.994 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.588 - 1.762 |
R-factor | 0.2016 |
Rwork | 0.199 |
R-free | 0.25320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3brb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.502 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.588 | 65.588 | 1.893 |
High resolution limit [Å] | 1.762 | 5.367 | 1.762 |
Rmerge | 0.038 | 0.030 | 0.717 |
Rmeas | 0.042 | 0.032 | 0.811 |
Rpim | 0.016 | 0.013 | 0.367 |
Total number of observations | 6753 | 4651 | |
Number of reflections | 23363 | 1167 | 1169 |
<I/σ(I)> | 19 | 42.6 | 1.5 |
Completeness [%] | 89.1 | 98.6 | 42.9 |
Redundancy | 6 | 5.8 | 4 |
CC(1/2) | 1.000 | 0.999 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 0.05M Tris pH 7.5, 4.4M NaCl |